930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:1:1:	3:3:3:	3:	C[6a]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CFF)	F(CC[6a]F)	C(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CFF){1|B<4>,1|C<3>,1|C<4>}	F(CC[6a]F)	120.4035	0.350	2	118.2220	6.498	4	118.2220	6.498	4	118.0733	34.322	7	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:1:1:	3:3:3:	3:	C[6a]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CFF)	F(CC[6a]F)	C(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CFF){1|Ir<6>,1|C<3>,1|C<4>}	F(CC[6a]F)	116.0405	0.579	2	118.2220	6.498	4	118.2220	6.498	4	118.0733	34.322	7	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:1:1:	3:3:3:	3:	C[6a]-3:F-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(F)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CFO)	F(CC[6a]O)	C(C[6a]C[6a]2)(F)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CFO){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]O)	120.5820	11.927	2	120.5820	142.265	2	117.8750	93.116	3	118.0733	34.322	7	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:1:1:	3:3:3:	3:	C[6a]-3:F-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(F)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFO)	F(CC[6a]O)	C(C[6a]C[6a]2)(F)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFO){1|C<3>,2|H<1>}	F(CC[6a]O)	112.4610	0.000	1	112.4610	0.000	1	117.8750	93.116	3	118.0733	34.322	7	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F)	F(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F){1|C<3>,2|H<1>}	F(CC[6a]C[5])	111.4430	0.000	1	111.4430	0.000	1	111.4430	0.000	1	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F)	F(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]C[6])	111.8490	0.000	1	111.0660	0.774	4	110.4206	2.664	5	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F)	F(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F){1|C<3>,2|H<1>}	F(CC[6a]C[6])	110.8050	0.868	3	111.0660	0.774	4	110.4206	2.664	5	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F)	F(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F){1|C<3>,2|H<1>}	F(CC[6a]C[6])	107.8390	0.000	1	107.8390	0.000	1	110.4206	2.664	5	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[5,5]I)(F)	C[6a](C[6a]C[6a]H)2(CCF)	F(CC[6a]C)	C(C[6a]C[6a]2)(CB[5,5]I)(F)	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	F(CC[6a]C)	109.7570	1.146	2	109.7570	1.312	2	112.0389	5.852	11	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCF)(F)	C[6a](C[6a]C[6a]H)2(CCF)	F(CC[6a]C)	C(C[6a]C[6a]2)(CCF)(F)	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	F(CC[6a]C)	114.1425	0.028	2	114.1425	0.001	2	112.0389	5.852	11	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCF)	F(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCF){1|C<3>,2|H<1>}	F(CC[6a]C)	112.2380	0.000	1	112.2380	0.000	1	112.0389	5.852	11	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Pt)(F)	C[6a](C[6a]C[6a]H)2(CCF)	F(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Pt)(F)	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	F(CC[6a]C)	109.6357	0.573	3	109.6357	0.329	3	112.0389	5.852	11	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFN)(F)	C[6a](C[6a]C[6a]F)2(CCF)	F(CC[6a]C)	C(C[6a]C[6a]2)(CFN)(F)	C[6a](C[6a]C[6a]F)2(CCF){1|C<3>,2|F<1>}	F(CC[6a]C)	115.3630	0.000	1	115.3630	0.000	1	112.0389	5.852	11	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGeF)(F)	C[6a](C[6a]C[6a]H)2(CCF)	F(CC[6a]C)	C(C[6a]C[6a]2)(CGeF)(F)	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	F(CC[6a]C)	113.4710	0.000	1	113.4710	0.000	1	112.0389	5.852	11	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHO)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCF)	F(CC[6a]C)	C(C[6a]C[6a]2)(CHO)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCF){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	F(CC[6a]C)	114.6500	0.000	1	114.6500	0.000	1	112.0389	5.852	11	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]F)	F(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]F){1|C<3>,2|H<1>}	F(CC[6a]C[5])	111.4980	0.000	1	111.4980	0.000	1	111.5187	0.006	3	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F)	F(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F){1|C<3>,2|H<1>}	F(CC[6a]C[5])	111.5290	0.105	2	111.5290	0.011	2	111.5187	0.006	3	111.5265	4.116	20	113.3359	19.106	28	113.3359	19.106	28
930	643	830	0:SP2_SP-NON_SP2	C	C[6a]	F	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CCF)	F(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	F(CC[6a]C)	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	113.3359	19.106	28	113.3359	19.106	28
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	3:2:3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:S[4]-2:C-3:	C(C[4]C[4]S[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]C[4]O)(S[4]C[4])(CC[6a]H)	C(C[4]C[4]S[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]C[4]O)(S[4]C[4])(CC[6a]H){1|C<4>,1|H<1>}	128.5780	0.000	1	128.5780	0.000	1	128.5780	0.000	1	128.5780	0.000	1	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]N[4]N)(C[4]N[4]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]N[4]N)(C[4]N[4]O)(CC[6a]H){1|C<4>}	131.2630	2.537	2	131.2630	6.437	2	131.2630	6.437	2	126.0190	85.717	3	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[4]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	C[4](C[4]C[4]C)2(CC[6a]O)	C(C[6a]C[6a]2)(C[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	C[4](C[4]C[4]C)2(CC[6a]O){1|C<3>}	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	126.0190	85.717	3	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C[4]-4:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]C[6a]C[4])(C[4]C[4]CN)(CC[6a]H)	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4])(C[4]C[4]CN)(CC[6a]H){3|C<3>}	129.6432	0.744	5	129.6432	0.553	5	129.6432	0.553	5	129.6432	0.553	5	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4,5,6]-4:C[4]-3:C-3:	C(C[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(CC[6a]H)	C(C[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(CC[6a]H){2|H<1>,3|C<4>}	128.5685	0.039	2	128.5685	0.002	2	128.5685	0.002	2	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4,5]-4:C[4]-3:C-3:	C(C[4]C[4,5]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4,5]C[5,6a]2C[4])(C[4]C[4]C[5])(CC[6a]H)	C(C[4]C[4,5]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4,5]C[5,6a]2C[4])(C[4]C[4]C[5])(CC[6a]H){1|H<1>,7|C<3>}	129.0780	0.000	1	129.0780	0.000	1	129.0780	0.000	1	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4,6]-4:C[4]-3:C-3:	C(C[4]C[4,6]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4,6]N[4,6]C[6a]C[6])(C[4]N[4,6]O)(CC[6a]H)	C(C[4]C[4,6]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4,6]N[4,6]C[6a]C[6])(C[4]N[4,6]O)(CC[6a]H){1|N<3>,1|O<1>,3|C<3>}	132.6980	0.000	1	132.6980	0.000	1	132.6980	0.000	1	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:N[4]-3:C-3:	C(C[4]C[4]N[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(CC[6a]H)	C(C[4]C[4]N[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(CC[6a]H){1|O<1>,4|C<3>}	128.4080	1.435	2	128.4080	2.060	2	127.8160	2.082	3	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:N[4]-3:C-3:	C(C[4]C[4]N[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]N[4]HH)(N[4]N[4]C)(CC[6a]H)	C(C[4]C[4]N[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]N[4]HH)(N[4]N[4]C)(CC[6a]H){1|C<3>}	126.6320	0.000	1	126.6320	0.000	1	127.8160	2.082	3	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Ge[4,4]-4:C[4]-3:C-3:	C(C[4]Ge[4,4]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](Ge[4,4]C[4]3)(C[4]C[4]Al)(CC[6a]H)	C(C[4]Ge[4,4]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](Ge[4,4]C[4]3)(C[4]C[4]Al)(CC[6a]H){4|C<3>}	128.6370	0.458	4	128.6370	0.210	4	128.6370	0.210	4	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[4]Br)	C[4](C[4]C[6]O[4]H)(C[4]O[4]O)(CC[6a]Br)	C(C[6a]C[6a]2)(C[4]C[4]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[4]Br){1|C<3>,2|H<1>}	C[4](C[4]C[6]O[4]H)(C[4]O[4]O)(CC[6a]Br){1|H<1>,2|C<4>}	126.5050	0.000	1	126.5050	0.000	1	126.5050	0.000	1	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[4]Cl)	C[4](C[4]C[6]N[4]H)(C[4]N[4]O)(CC[6a]Cl)	C(C[6a]C[6a]2)(C[4]C[4]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[4]Cl){1|C<3>,2|H<1>}	C[4](C[4]C[6]N[4]H)(C[4]N[4]O)(CC[6a]Cl){2|C<4>,2|H<1>}	129.9910	0.000	1	129.9910	0.000	1	128.4930	1.687	3	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[4]Cl)	C[4](C[4]O[4]CH)(C[4]O[4]O)(CC[6a]Cl)	C(C[6a]C[6a]2)(C[4]C[4]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[4]Cl){1|C<3>,2|H<1>}	C[4](C[4]O[4]CH)(C[4]O[4]O)(CC[6a]Cl)	127.7440	0.086	2	127.7440	0.007	2	128.4930	1.687	3	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]C[6a]C[4]O)(C[4]C[4]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4]O)(C[4]C[4]C)(CC[6a]H){1|H<1>,3|C<3>}	131.2410	0.000	1	131.2410	0.000	1	128.7148	2.560	6	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]C[6a]N[4]H)(C[4]C[6a]N[4])(CC[6a]H)	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]C[6a]N[4]H)(C[4]C[6a]N[4])(CC[6a]H){1|O<1>,4|C<3>}	127.8655	0.961	4	127.8655	0.924	4	128.7148	2.560	6	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(CC[6a]H){3|C<3>}	129.5860	0.000	1	129.5860	0.000	1	128.7148	2.560	6	128.6277	2.216	21	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-4:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[4]H)	C[4](C[4]C[4]CO)(C[4]C[4]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[4]H){1|H<1>,2|C<3>}	C[4](C[4]C[4]CO)(C[4]C[4]HH)(CC[6a]H){2|H<1>}	129.3980	0.000	1	129.3980	0.000	1	128.6843	0.497	3	128.6843	0.497	3	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-4:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]C[4]HH)(C[4]C[4]HO)(CC[6a]H)	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]C[4]HH)(C[4]C[4]HO)(CC[6a]H){1|Cl<1>,1|H<1>}	127.9880	0.000	1	127.9880	0.000	1	128.6843	0.497	3	128.6843	0.497	3	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-4:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	C[4](C[4]C[4]HH)2(CC[6a]H)	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	C[4](C[4]C[4]HH)2(CC[6a]H){1|C<3>}	128.6670	0.000	1	128.6670	0.000	1	128.6843	0.497	3	128.6843	0.497	3	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(NS)	C[6a](C[6a]C[6a]H)2(CC[4]N)	C[4](C[4]C[4]HH)(C[4]C[4]C)(CC[6a]N)	C(C[6a]C[6a]2)(C[4]C[4]2)(NS)	C[6a](C[6a]C[6a]H)2(CC[4]N){1|C<3>,2|H<1>}	C[4](C[4]C[4]HH)(C[4]C[4]C)(CC[6a]N){2|H<1>}	119.1178	0.501	4	119.1178	0.251	4	119.1178	0.251	4	122.6301	19.999	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[4]O)	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[4]C[4]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C)(CC[6a]O){1|O<2>,3|C<3>}	128.7860	0.000	1	128.7860	0.000	1	127.3133	2.049	3	122.6301	19.999	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(OP)	C[6a](C[6a]C[6a]H)2(CC[4]O)	C[4](C[4]C[4]CH)(C[4]C[4]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[4]C[4]2)(OP)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]C)(CC[6a]O){1|C<3>}	125.9270	0.000	1	125.9270	0.000	1	127.3133	2.049	3	122.6301	19.999	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(OP)	C[6a](C[6a]C[6a]H)2(CC[4]O)	C[4](C[4]C[4]HH)(C[4]C[4]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[4]C[4]2)(OP)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	C[4](C[4]C[4]HH)(C[4]C[4]C)(CC[6a]O){1|C<3>}	127.2270	0.000	1	127.2270	0.000	1	127.3133	2.049	3	122.6301	19.999	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:C[4]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-4:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(OP)	C[6a](C[6a]C[6a]H)2(CC[4]O)	C[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[4]C[4]2)(OP)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]O){1|C<3>,1|H<1>}	129.2350	0.000	1	129.2350	0.000	1	129.2350	0.000	1	129.2350	0.000	1	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C[4]-3:C-3:	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[4](C[4]C[6a]C[4])(C[4]C[4]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4])(C[4]C[4]C)(CC[6a]2){3|C<3>}	122.0277	2.824	8	122.0277	7.973	8	121.8324	6.834	10	121.8324	6.834	10	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C[4]-3:C-3:	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[4](C[4]C[6a]C[4])(C[4]C[4]O)(CC[6a]2)	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4])(C[4]C[4]O)(CC[6a]2){3|C<3>}	121.0510	2.041	2	121.0510	4.164	2	121.8324	6.834	10	121.8324	6.834	10	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[4]-4:N[4]-3:	C(C[5a]C[5a]N[5a])(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[4])	C[4](CC[5a]C[6a])(C[4]C[4]CH)(N[4]C[4]Cu)	C(C[5a]C[5a]N[5a])(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[4]){1|C<3>,2|H<1>}	C[4](CC[5a]C[6a])(C[4]C[4]CH)(N[4]C[4]Cu){1|C<3>}	120.3462	0.488	4	120.3462	0.239	4	120.7035	0.532	6	120.7035	0.532	6	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[4]-4:N[4]-3:	C(C[5a]C[5a]N[5a])(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[4])	C[4](CC[5a]C[6a])(C[4]C[4]CH)(N[4]C[4]Ni)	C(C[5a]C[5a]N[5a])(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[4]){1|C<3>,2|H<1>}	C[4](CC[5a]C[6a])(C[4]C[4]CH)(N[4]C[4]Ni){1|C<3>}	121.4180	0.642	2	121.4180	0.412	2	120.7035	0.532	6	120.7035	0.532	6	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	Si[4]-4:C[4]-3:C-3:	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C[4](Si[4]C[4]CC)(C[4]C[4]H)(CC[6a]C)	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C[4](Si[4]C[4]CC)(C[4]C[4]H)(CC[6a]C){1|C<3>}	120.6710	0.000	1	120.6710	0.000	1	120.6710	0.000	1	121.7174	4.647	12	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[4,5]-4:C[4]-3:C-3:	C(C[4]C[4,5]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[4](C[4,5]C[5,6a]C[4,5]O[5])(C[4]C[4,5]C)(CC[6a]2)	C(C[4]C[4,5]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[4,5]C[5,6a]C[4,5]O[5])(C[4]C[4,5]C)(CC[6a]2){1|O<2>,4|C<3>}	121.2485	0.206	2	121.2485	0.042	2	121.2485	0.042	2	121.7174	4.647	12	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:N[4,6]-3:C-3:	C(C[4]N[4,6]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[4](C[4]C[4,6]C[6a]2)(N[4,6]C[4,6]C[6])(CC[6a]2)	C(C[4]N[4,6]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[4]C[4,6]C[6a]2)(N[4,6]C[4,6]C[6])(CC[6a]2){1|N<2>,2|H<1>,5|C<3>}	122.5715	1.505	2	122.5715	2.266	2	122.5715	2.266	2	121.7174	4.647	12	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]C)	C(C[6a]C[6a]2)(C[4]C[4]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]C){2|H<1>}	126.2730	0.000	1	126.2730	0.000	1	126.2730	0.000	1	121.7174	4.647	12	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[4](C[4]C[4]CC)(C[4]C[4]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[4]C[4]CC)(C[4]C[4]C)(CC[6a]2){2|C<3>}	120.6718	2.431	4	120.6718	5.908	4	121.0042	4.401	6	121.7174	4.647	12	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[4](C[4]C[6a]2C[4])(C[4]C[6a]C[4])(CC[6a]2)	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[4]C[6a]2C[4])(C[4]C[6a]C[4])(CC[6a]2){1|C<4>,6|C<3>}	121.6690	1.720	2	121.6690	2.957	2	121.0042	4.401	6	121.7174	4.647	12	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[3,4]-4:C[4]-4:C-3:	C(C[4]C[3,4]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[4])	C[4](C[3,4]C[3]2C[4])(C[4]C[4]HH)(CC[6a]2)	C(C[4]C[3,4]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[4]){1|Br<1>,1|C<3>,1|H<1>}	C[4](C[3,4]C[3]2C[4])(C[4]C[4]HH)(CC[6a]2){1|C<4>,5|H<1>}	121.6380	0.000	1	121.6380	0.000	1	121.3450	0.172	2	121.2746	5.699	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[3,4]-4:C[4]-4:C-3:	C(C[4]C[3,4]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[4](C[3,4]C[3]2C[4])(C[4]C[4]HH)(CC[6a]2)	C(C[4]C[3,4]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[3,4]C[3]2C[4])(C[4]C[4]HH)(CC[6a]2){1|C<4>,5|H<1>}	121.0520	0.000	1	121.0520	0.000	1	121.3450	0.172	2	121.2746	5.699	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[4]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-4:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[4]C[4]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(CC[6a]C){2|C<3>,2|H<1>}	120.8960	0.728	2	120.8960	0.530	2	120.8960	0.530	2	121.2746	5.699	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[4]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-4:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[4]C[5])	C[4](C[4]C[4]HH)2(CC[6a]C[5])	C(C[6a]C[6a]2)(C[4]C[4]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[4]C[5]){1|C<3>,2|H<1>}	C[4](C[4]C[4]HH)2(CC[6a]C[5]){2|H<1>}	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	121.2746	5.699	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-4:C-3:	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[4](C[4]C[4]HH)(C[4]C[4]HO)(CC[6a]2)	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[4]C[4]HH)(C[4]C[4]HO)(CC[6a]2){2|H<1>}	121.1105	5.679	2	121.1105	32.248	2	121.1105	32.248	2	121.2746	5.699	7	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C[4]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(CCCH)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C[4](C[4]C[4]HH)(C[4]C[4]C)(CC[6a]C)	C(C[6a]C[6a]2)(C[4]C[4]2)(CCCH)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C[4](C[4]C[4]HH)(C[4]C[4]C)(CC[6a]C){1|C<3>}	123.4230	0.000	1	123.4230	0.000	1	123.4230	0.000	1	123.4230	0.000	1	124.7058	18.570	78	124.7058	18.570	78
930	643	846	0:SP2_SP2_SP2	C	C[6a]	C[4]	3:3:4:	3:3:3:	4:4:3:	C[4]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	Si[4]-4:C[4]-4:C-3:	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C[4](Si[4]C[6a]2O[4])(C[4]C[6a]2O[4])(CC[6a]C)	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C[4](Si[4]C[6a]2O[4])(C[4]C[6a]2O[4])(CC[6a]C){8|C<3>}	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	124.7058	18.570	78	124.7058	18.570	78
930	643	849	0:SP2_SP2_SP3	C	C[6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[5]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-3:	C-3:O[6]-2:O[6]-2:O-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[5]P[6])	P[6](CC[6a]C[5])(O[6]C[6])2(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[5]P[6]){1|C<3>,2|H<1>}	P[6](CC[6a]C[5])(O[6]C[6])2(O){1|C<4>,4|H<1>}	115.4655	0.326	2	115.4655	0.106	2	115.4655	0.106	2	116.6700	3.363	10	116.8369	5.853	14	116.8369	5.853	14
930	643	849	0:SP2_SP2_SP3	C	C[6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-3:	C-3:O[6]-2:O[6]-2:O-1:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6])	P[6](CC[6a]C[6])(O[6]C[6])2(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6]){1|C<3>,2|H<1>}	P[6](CC[6a]C[6])(O[6]C[6])2(O){1|C<4>,4|H<1>}	118.6490	0.901	2	118.6490	0.812	2	116.9711	3.790	8	116.6700	3.363	10	116.8369	5.853	14	116.8369	5.853	14
930	643	849	0:SP2_SP2_SP3	C	C[6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-3:	C-3:O[6]-2:O[6]-2:O-1:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6])	P[6](CC[6a]C[6])(O[6]C[6])2(O)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6]){1|C<3>,2|H<1>}	P[6](CC[6a]C[6])(O[6]C[6])2(O){1|C<4>,4|H<1>}	117.4230	1.668	3	117.4230	2.783	3	116.9711	3.790	8	116.6700	3.363	10	116.8369	5.853	14	116.8369	5.853	14
930	643	849	0:SP2_SP2_SP3	C	C[6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-3:	C-3:O[6]-2:O[6]-2:O-1:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6])	P[6](CC[6a]C[6])(O[6]C[6])2(O)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6]){1|C<3>,2|H<1>}	P[6](CC[6a]C[6])(O[6]C[6])2(O){1|C<4>,4|H<1>}	115.4007	1.804	3	115.4007	3.255	3	116.9711	3.790	8	116.6700	3.363	10	116.8369	5.853	14	116.8369	5.853	14
930	643	849	0:SP2_SP2_SP3	C	C[6a]	P[6]	3:4:2:	3:3:3:	2:2:3:1:	C[6a]-3:P[6]-4:C-2:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:O[6]-2:C-3:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CC)	C[6a](C[6a]C[6a]H)2(CP[6]C)	P[6](O[6]C[6])2(CC[6a]C)(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CC)	C[6a](C[6a]C[6a]H)2(CP[6]C){1|C<3>,2|H<1>}	P[6](O[6]C[6])2(CC[6a]C)(O){1|C<4>,4|H<1>}	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	116.8369	5.853	14	116.8369	5.853	14
930	643	849	0:SP2_SP2_SP3	C	C[6a]	P[6]	3:4:3:	3:3:3:	2:2:3:1:	C[6a]-3:P[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:O[6]-2:C-3:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CP[6]C)	P[6](O[6]C[6])2(CC[6a]C)(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CP[6]C){1|C<3>,2|H<1>}	P[6](O[6]C[6])2(CC[6a]C)(O){1|C<4>,4|H<1>}	113.3080	0.000	1	113.3080	0.000	1	115.6173	6.353	3	115.6173	6.353	3	116.8369	5.853	14	116.8369	5.853	14
930	643	849	0:SP2_SP2_SP3	C	C[6a]	P[6]	3:4:3:	3:3:3:	2:2:3:1:	C[6a]-3:P[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:O[6]-2:C-3:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCN)	C[6a](C[6a]C[6a]H)2(CP[6]C)	P[6](O[6]C[6])2(CC[6a]C)(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCN)	C[6a](C[6a]C[6a]H)2(CP[6]C){1|C<3>,2|H<1>}	P[6](O[6]C[6])2(CC[6a]C)(O){1|C<4>,4|H<1>}	115.2380	0.000	1	115.2380	0.000	1	115.6173	6.353	3	115.6173	6.353	3	116.8369	5.853	14	116.8369	5.853	14
930	643	849	0:SP2_SP2_SP3	C	C[6a]	P[6]	3:4:3:	3:3:3:	2:2:3:1:	C[6a]-3:P[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:O[6]-2:C-3:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCO)	C[6a](C[6a]C[6a]H)2(CP[6]C)	P[6](O[6]C[6])2(CC[6a]C)(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCO)	C[6a](C[6a]C[6a]H)2(CP[6]C){1|C<3>,2|H<1>}	P[6](O[6]C[6])2(CC[6a]C)(O){1|C<4>,4|H<1>}	118.3060	0.000	1	118.3060	0.000	1	115.6173	6.353	3	115.6173	6.353	3	116.8369	5.853	14	116.8369	5.853	14
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6,6]	3:3:1:	3:3:3:	4:2:3:	N[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:O[6,6]-2:C-3:	C(N[6,6]C[3x6]O[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6,6]O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O)	C(N[6,6]C[3x6]O[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6,6]O){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O){1|C<3>,1|C<4>,4|H<1>}	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	119.3175	6.760	2	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6,6]	3:3:1:	3:3:3:	4:4:3:	N[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-4:C-3:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6,6]O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6,6]O){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	119.3175	6.760	2	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	2:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6]-4:N[6]-3:C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	2:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|Cl<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	119.4510	1.102	2	119.4510	1.214	2	119.4510	1.214	2	119.4510	1.214	2	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:2:3:	3:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a,6]-3:C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O){1|H<1>,1|S<2>,3|C<3>}	120.5310	0.000	1	120.5310	0.000	1	120.5310	0.000	1	120.5310	0.000	1	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:2:3:	4:2:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:O[6]-2:C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:2:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5,6]-4:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	118.2070	0.000	1	118.2070	0.000	1	118.2070	0.000	1	118.2070	0.000	1	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:2:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	119.3490	0.000	1	119.1215	0.104	2	119.1215	0.104	2	119.1215	0.104	2	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:2:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|O<2>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	118.8940	0.000	1	119.1215	0.104	2	119.1215	0.104	2	119.1215	0.104	2	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:2:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-2:C-3:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O){1|N<3>,3|C<3>}	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CN[6]H)	N[6](C[6]C[6]H)2(CC[6a]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CN[6]H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|H<1>}	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	116.6556	3.277	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6a]O)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)2(CC[6a]O){3|C<3>}	116.1280	0.000	1	116.1280	0.000	1	116.3190	0.073	2	116.6556	3.277	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]O)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	116.5100	0.000	1	116.5100	0.000	1	116.3190	0.073	2	116.6556	3.277	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:3:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.7695	0.174	4	117.7695	0.030	4	117.7695	0.030	4	116.6556	3.277	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]O){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	118.2025	0.320	2	118.2025	0.103	2	118.4123	0.183	3	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O){2|C<4>,3|H<1>}	118.8320	0.000	1	118.8320	0.000	1	118.4123	0.183	3	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){3|C<4>,4|H<1>}	117.4450	0.000	1	117.4450	0.000	1	117.4450	0.000	1	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6]-4:C-3:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O){2|C<3>,3|H<1>,4|C<4>}	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1715	0.159	2	120.1715	0.025	2	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.4090	0.000	1	117.4090	0.000	1	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	120.1680	0.000	1	120.1680	0.000	1	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0130	0.000	1	119.4486	0.100	5	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.3075	0.012	4	119.4486	0.100	5	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	119.5900	0.000	1	119.2014	0.625	7	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	119.6260	0.000	1	119.2014	0.625	7	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	118.4500	0.375	3	119.2014	0.625	7	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.9220	0.636	2	119.2014	0.625	7	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,5|C<3>}	118.6610	0.000	1	118.6610	0.000	1	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.1850	0.000	1	116.1850	0.000	1	119.1344	1.166	18	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6,6]-3:C[6]-4:C-3:	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O)	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.4740	0.000	1	118.4740	0.000	1	120.2207	12.948	3	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6,6]-3:C[6]-4:C-3:	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O)	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.0940	4.617	2	121.0940	21.320	2	120.2207	12.948	3	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.0240	0.686	2	118.0240	0.470	2	118.0240	0.470	2	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:Se-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Se)	C[6a](C[6a]C[6a]H)2(CN[6]Se)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Se)	C[6a](C[6a]C[6a]H)2(CN[6]Se){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	119.0553	2.092	30	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:2:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3,6]-4:N[6]-2:C-3:	C(N[6]C[3,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[3,6]C[3,6]C[3]O)(N[6]C[6])(CC[6a]O)	C(N[6]C[3,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[3,6]C[3,6]C[3]O)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	118.9957	0.158	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:2:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:N[6]-2:C-3:	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	118.9957	0.158	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:2:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:N[6]-2:C-3:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.0060	0.000	1	119.0060	0.000	1	118.7844	0.019	5	118.9957	0.158	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:2:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:N[6]-2:C-3:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	118.7725	0.071	2	118.7725	0.005	2	118.7844	0.019	5	118.9957	0.158	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:2:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:N[6]-2:C-3:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	118.6970	0.000	1	118.6855	0.000	2	118.7844	0.019	5	118.9957	0.158	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:2:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:N[6]-2:C-3:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>}	118.6740	0.000	1	118.6855	0.000	2	118.7844	0.019	5	118.9957	0.158	7	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	117.6760	0.000	1	117.6760	0.000	1	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	118.5590	0.000	1	118.5590	0.000	1	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,3|H<1>}	118.4630	0.000	1	118.4630	0.000	1	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|Si<3>,1|H<1>,2|C<4>}	119.1850	0.000	1	119.1850	0.000	1	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	117.9100	0.000	1	117.9100	0.000	1	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	116.6310	0.000	1	116.6310	0.000	1	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	118.7635	1.247	2	118.7635	1.554	2	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	119.5530	0.000	1	118.6858	1.156	5	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	118.7197	1.210	3	118.6858	1.156	5	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	117.7170	0.000	1	118.6858	1.156	5	118.4138	0.949	13	118.4138	0.949	13	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]O){2|H<1>,5|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]O){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CN[6]O){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	116.2170	0.994	2	116.2170	0.988	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[6]O){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	118.2355	0.046	2	118.2355	0.002	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN[6]O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	117.8273	0.493	3	117.8273	0.244	3	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[6]O){1|O<2>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	120.3290	0.000	1	120.3290	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.5920	0.000	1	117.5920	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	118.1670	0.000	1	118.1670	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<4>,4|H<1>}	118.2400	0.000	1	118.4560	0.093	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	118.6720	0.000	1	118.4560	0.093	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.6280	0.000	1	118.0703	0.193	3	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	118.0760	0.000	1	118.0703	0.193	3	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|N<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	118.5070	0.000	1	118.0703	0.193	3	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	117.1100	0.000	1	117.1100	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|F<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.7930	0.000	1	117.7373	1.048	3	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.7095	1.446	2	117.7373	1.048	3	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	117.6970	0.000	1	117.7390	0.004	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.7810	0.000	1	117.7390	0.004	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.9560	0.134	2	117.9560	0.018	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	119.0600	0.000	1	119.0865	0.001	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	119.1130	0.000	1	119.0865	0.001	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.1400	0.065	2	117.1400	0.004	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]O){1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.3020	0.000	1	117.3020	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,2|H<1>}	118.4620	0.000	1	118.4620	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O){1|C<3>,2|C<4>,2|O<2>}	117.9520	0.000	1	117.9520	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	118.8300	0.000	1	118.8300	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	117.8260	0.000	1	117.8260	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[5a]C[6]H)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6]H)2(CC[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.9040	0.000	1	118.9040	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	117.9050	0.000	1	117.9050	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O){2|H<1>,3|C<4>,4|C<3>}	118.4480	0.000	1	118.4480	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|H<1>}	118.5210	0.000	1	118.5210	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O){2|H<1>,4|C<3>}	117.6240	0.000	1	117.6240	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|F<1>,1|H<1>,2|C<3>}	118.0750	0.000	1	118.0750	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	117.2000	0.000	1	118.1310	1.734	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	119.0620	0.000	1	118.1310	1.734	2	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,1|F<1>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	119.5230	0.000	1	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	118.4460	0.368	2	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<3>,3|H<1>}	118.5580	0.000	1	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	118.8459	0.613	12	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	117.9488	0.902	17	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	118.2198	0.377	4	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|N<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	119.6500	0.000	1	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	118.4020	0.000	1	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	119.4960	0.000	1	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	118.2245	0.008	2	118.4078	0.678	42	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	117.2500	0.000	1	117.2500	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	118.9380	0.000	1	118.9380	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.0200	0.000	1	117.7122	0.051	4	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	117.6250	0.000	1	117.7122	0.051	4	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	117.6020	0.167	2	117.7122	0.051	4	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){1|C<4>,3|H<1>,5|C<3>}	119.0550	0.000	1	119.0023	0.221	4	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	119.6090	0.000	1	119.0023	0.221	4	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|H<1>,6|C<3>}	118.6725	0.272	2	119.0023	0.221	4	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|C<4>,2|N<3>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	117.1500	0.000	1	117.1500	0.000	1	118.2064	0.701	93	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CN[6]S)	N[6](C[6]C[6]HH)2(CC[6a]S)	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CN[6]S){2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]S){1|O<2>,4|H<1>}	118.6530	0.000	1	118.6530	0.000	1	117.4710	1.141	3	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S)	N[6](C[6]C[6]HH)2(CC[6a]S)	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]S){1|C<4>,4|H<1>}	117.1850	0.000	1	116.8800	0.186	2	117.4710	1.141	3	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S)	N[6](C[6]C[6]HH)2(CC[6a]S)	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]S){1|O<2>,4|H<1>}	116.5750	0.000	1	116.8800	0.186	2	117.4710	1.141	3	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6]-4:C-3:	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,4|C<4>,5|H<1>}	116.8125	0.462	2	116.8125	0.213	2	116.8125	0.213	2	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	118.3960	0.000	1	118.3960	0.000	1	117.9202	0.814	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	117.4480	0.000	1	117.4480	0.000	1	117.9202	0.814	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.2740	0.000	1	117.9190	1.404	3	117.9202	0.814	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,5|H<1>}	117.2415	0.233	2	117.9190	1.404	3	117.9202	0.814	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	116.8990	0.000	1	116.8990	0.000	1	117.8850	0.848	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.4020	0.000	1	119.4020	0.000	1	117.8850	0.848	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.5860	0.000	1	117.6845	0.019	2	117.8850	0.848	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	117.7830	0.000	1	117.6845	0.019	2	117.8850	0.848	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O){1|C<3>,3|C<4>,7|H<1>}	117.7550	0.000	1	117.7550	0.000	1	117.8850	0.848	5	118.1242	0.732	110	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N[6](C[6]C[6]H)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,2|H<1>}	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	116.1195	0.326	2	115.9597	0.130	3	115.9597	0.130	3	115.9597	0.130	3	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	115.6400	0.000	1	115.9597	0.130	3	115.9597	0.130	3	115.9597	0.130	3	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CN[6]C)	N[6](C[6]C[6]HH)2(CC[6a]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	129.9150	0.000	1	129.9150	0.000	1	129.9150	0.000	1	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	117.4200	0.000	1	117.4200	0.000	1	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	116.4420	0.000	1	116.3085	0.036	2	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	116.1750	0.000	1	116.3085	0.036	2	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	115.5802	0.546	5	115.5802	0.298	5	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	115.6360	0.725	2	115.6360	0.526	2	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N){1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	116.1830	0.000	1	116.1830	0.000	1	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	115.0170	0.000	1	115.0170	0.000	1	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	119.9320	0.000	1	119.9320	0.000	1	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	117.2870	0.000	1	117.2870	0.000	1	116.2592	1.714	14	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(SNi)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CN[6]S)	N[6](C[6]C[6]HH)2(CC[6a]S)	C(C[6a]C[6a]2)(N[6]C[6]2)(SNi)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CN[6]S){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]S){1|C<4>,4|H<1>}	123.0915	0.012	2	123.0915	0.000	2	123.0915	0.000	2	117.8663	16.139	17	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C){2|H<1>,3|C<3>}	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[6]C)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C){3|C<4>,3|H<1>}	114.8315	1.496	2	114.8315	2.237	2	114.8315	2.237	2	114.8315	2.237	2	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[6]C)	N[6](C[6]C[6]HH)2(CC[6a]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]C){1|O<2>,4|H<1>}	116.5570	0.000	1	116.5570	0.000	1	117.1213	0.302	3	118.5739	1.582	11	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CN[6]C)	N[6](C[6]C[6]HH)2(CC[6a]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]C){1|O<2>,4|H<1>}	117.1530	0.000	1	117.1530	0.000	1	117.1213	0.302	3	118.5739	1.582	11	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C)	N[6](C[6]C[6]HH)2(CC[6a]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	117.6540	0.000	1	117.6540	0.000	1	117.1213	0.302	3	118.5739	1.582	11	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(CN[6]2)	N[6](C[6]C[6]HH)2(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(CN[6]2){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|C<4>,4|H<1>}	119.2470	0.714	4	119.1186	0.931	8	119.1186	0.931	8	118.5739	1.582	11	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(CN[6]2)	N[6](C[6]C[6]HH)2(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(CN[6]2){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|N<3>,4|H<1>}	118.8875	1.709	2	119.1186	0.931	8	119.1186	0.931	8	118.5739	1.582	11	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP2	C	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(CN[6]2)	N[6](C[6]C[6]HH)2(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(CN[6]2){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|N<4>,4|H<1>}	119.0930	1.376	2	119.1186	0.931	8	119.1186	0.931	8	118.5739	1.582	11	118.2094	2.658	212	118.2198	2.676	214
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	117.3640	0.000	1	117.3640	0.000	1	117.3640	0.000	1	117.3640	0.000	1	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:2:3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:N[6]-2:C-3:	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	118.9680	0.000	1	118.9680	0.000	1	118.8810	0.037	3	118.8810	0.037	3	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]CH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)2(CC[6a]O){1|C<4>,4|H<1>}	119.0140	0.000	1	119.0140	0.000	1	118.8810	0.037	3	118.8810	0.037	3	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	N[6](C[6]C[6]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	118.6610	0.000	1	118.6610	0.000	1	118.8810	0.037	3	118.8810	0.037	3	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:2:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]N)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]N){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N){1|C<4>,4|C<3>}	115.9970	0.000	1	115.9970	0.000	1	115.9970	0.000	1	115.9970	0.000	1	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	115.5145	0.459	2	115.5145	0.211	2	115.9038	0.540	12	115.9038	0.540	12	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	115.3380	0.000	1	115.7262	0.501	5	115.9038	0.540	12	115.9038	0.540	12	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	115.8233	0.778	4	115.7262	0.501	5	115.9038	0.540	12	115.9038	0.540	12	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N){1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	115.8330	0.860	3	115.8330	0.740	3	115.9038	0.540	12	115.9038	0.540	12	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N[6](C[6]C[6]HH)2(CC[6a]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	116.8430	0.086	2	116.8430	0.007	2	115.9038	0.540	12	115.9038	0.540	12	116.6642	1.910	19	116.6642	1.910	19
930	643	856	0:SP2_SP2_SP3	C	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:N[6]-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(CN[6]C)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(CN[6]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	116.7100	0.000	1	116.7100	0.000	1	116.7100	0.000	1	116.7100	0.000	1	116.6642	1.910	19	116.6642	1.910	19
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	125.4010	0.000	1	125.4010	0.000	1	124.7105	0.300	6	119.3126	14.931	20	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.5305	0.546	4	124.5305	0.298	4	124.7105	0.300	6	119.3126	14.931	20	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO){2|C<3>}	O(CC[6a]H)	124.7400	0.000	1	124.7400	0.000	1	124.7105	0.300	6	119.3126	14.931	20	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:O-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.9825	1.361	4	117.7947	1.198	6	117.1427	2.538	12	119.3126	14.931	20	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:O-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	117.4190	0.107	2	117.7947	1.198	6	117.1427	2.538	12	119.3126	14.931	20	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:O-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	116.2935	4.037	2	116.2935	16.296	2	117.1427	2.538	12	119.3126	14.931	20	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:O-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	116.5895	0.371	4	116.5895	0.138	4	117.1427	2.538	12	119.3126	14.931	20	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:O-1:O-1:	O[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]O[6a])(O)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(O)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	116.1380	1.669	2	116.1380	2.785	2	116.1380	2.785	2	119.3126	14.931	20	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	125.3790	0.000	1	125.3790	0.000	1	124.1085	2.745	10	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]H)	123.5870	0.000	1	124.4176	1.187	8	124.1085	2.745	10	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]H)	124.2850	0.000	1	124.4176	1.187	8	124.1085	2.745	10	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	124.5313	1.827	3	124.4176	1.187	8	124.1085	2.745	10	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.6250	0.616	3	124.4176	1.187	8	124.1085	2.745	10	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	120.3650	0.000	1	120.3650	0.000	1	124.1085	2.745	10	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.3945	1.642	10	117.3945	2.695	10	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|N<3>}	O(CC[6a]O)	116.3685	0.655	2	116.3685	0.430	2	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	117.5206	3.594	8	117.1914	2.543	98	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	116.4338	1.585	4	117.1914	2.543	98	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.1010	0.883	24	117.1914	2.543	98	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.3320	1.340	56	117.1914	2.543	98	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	116.3078	2.144	6	117.1914	2.543	98	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	116.2630	0.909	2	116.2630	0.827	2	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.6691	1.489	16	117.6691	2.218	16	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	117.1568	1.300	18	117.1470	1.332	28	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	O(CC[6a]O)	117.1295	0.896	10	117.1470	1.332	28	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	O(CC[6a]O)	116.1620	1.584	2	116.1620	2.509	2	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	116.8139	1.838	24	116.8139	3.379	24	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	117.2698	1.183	4	117.2698	1.399	4	117.1598	2.370	186	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(O)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(O)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	116.5716	1.242	12	116.5716	1.542	12	116.4911	1.491	28	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(O)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(O)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	116.4308	1.243	16	116.4308	1.544	16	116.4911	1.491	28	117.3865	4.427	224	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClO){1|H<1>,2|C<3>}	O(CC[6a]Cl)	127.1120	0.000	1	127.1120	0.000	1	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CClO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]Cl)	126.7010	0.395	4	127.0043	0.324	6	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CClO){1|C<3>,2|H<1>}	O(CC[6a]Cl)	127.6110	0.212	2	127.0043	0.324	6	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)2(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)2(CClO){1|C<3>,2|H<1>}	O(CC[6a]Cl)	125.6865	0.213	2	125.6865	0.045	2	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]Cl)	126.4140	0.000	1	126.5258	1.362	13	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){1|C<3>,2|F<1>}	O(CC[6a]Cl)	125.6823	0.777	3	126.5258	1.362	13	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){1|C<3>,2|H<1>}	O(CC[6a]Cl)	126.9526	1.447	5	126.5258	1.362	13	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){1|H<1>,2|C<3>}	O(CC[6a]Cl)	128.2280	0.000	1	126.5258	1.362	13	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	O(CC[6a]Cl)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){3|C<3>}	O(CC[6a]Cl)	126.1277	0.409	3	126.5258	1.362	13	126.6066	1.000	22	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:F-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(F)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CFO)	O(CC[6a]F)	C(C[6a]C[6a]2)(F)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CFO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]F)	121.9295	11.890	2	121.9295	141.372	2	124.3197	87.825	3	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:F-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(F)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFO)	O(CC[6a]F)	C(C[6a]C[6a]2)(F)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFO){1|C<3>,2|H<1>}	O(CC[6a]F)	129.1000	0.000	1	129.1000	0.000	1	124.3197	87.825	3	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[4,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[4,6a]C[6a])(H)(O)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[4,6a]C[6a])(H)(O)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(CC[6a]H)	124.1690	0.000	1	124.1690	0.000	1	124.1690	0.000	1	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]H)	124.1320	0.000	1	124.1320	0.000	1	125.3902	2.628	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]H)	123.2850	0.000	1	123.2850	0.000	1	125.3902	2.628	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CHO){1|C<3>,1|H<1>,4|C<4>}	O(CC[6a]H)	126.7000	0.000	1	126.7000	0.000	1	125.3902	2.628	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(CC[6a]H)	126.2590	0.000	1	126.2590	0.000	1	125.3902	2.628	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(CC[6a]H)	126.5480	0.000	1	126.5480	0.000	1	125.3902	2.628	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>,2|H<1>}	O(CC[6a]H)	124.4460	0.000	1	124.4460	0.000	1	125.3902	2.628	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]H)	127.7740	0.000	1	127.7740	0.000	1	125.3902	2.628	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	O(CC[6a]H)	123.9780	0.000	1	123.9780	0.000	1	125.3902	2.628	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,1|S<2>,3|C<3>}	O(CC[6a]H)	123.0620	0.000	1	123.0620	0.000	1	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO){1|O<2>,4|C<3>}	O(CC[6a]H)	124.2650	0.000	1	124.2650	0.000	1	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	124.2620	0.000	1	124.2620	0.000	1	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]H)	122.8070	0.000	1	122.8070	0.000	1	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	O(CC[6a]H)	127.6610	0.000	1	124.6192	2.908	5	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]H)	123.8588	0.150	4	124.6192	2.908	5	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO){5|C<3>}	O(CC[6a]H)	122.4370	0.000	1	122.4370	0.000	1	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO){2|H<1>,3|C<3>}	O(CC[6a]H)	125.5630	0.000	1	125.5630	0.000	1	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	O(CC[6a]H)	126.3970	0.000	1	126.4477	0.106	3	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	O(CC[6a]H)	126.4730	0.457	2	126.4477	0.106	3	124.6311	2.576	14	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[5a,6,6a]O[6])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[5a,6,6a]O[6])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(CC[6a]H)	124.8880	0.000	1	124.8880	0.000	1	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CHO){1|C<3>,3|C<4>}	O(CC[6a]H)	124.2110	0.000	1	124.2110	0.000	1	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CHO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	123.5570	0.000	1	123.5570	0.000	1	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(CHO){1|C<3>,1|O<2>,4|C<4>}	O(CC[6a]H)	124.8660	0.826	2	124.8660	0.682	2	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]H)	125.4560	1.370	3	125.4560	1.878	3	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHO){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]H)	126.7630	0.000	1	126.7630	0.000	1	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>,3|H<1>}	O(CC[6a]H)	123.1910	0.000	1	122.6272	0.224	5	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO){1|O<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	122.4862	0.408	4	122.6272	0.224	5	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	124.8560	0.000	1	124.8560	0.000	1	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CHO){1|H<1>,1|O<2>,2|C<3>}	O(CC[6a]H)	123.9670	0.000	1	123.9670	0.000	1	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CHO){1|C<3>,3|C<4>}	O(CC[6a]H)	124.3335	0.046	2	124.3335	0.002	2	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]H)	123.5320	0.000	1	123.6780	0.035	8	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>}	O(CC[6a]H)	123.6989	0.193	7	123.6780	0.035	8	124.0603	1.329	26	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]2)(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHO){2|H<1>,5|C<3>}	O(CC[6a]H)	127.5525	2.349	4	127.5525	5.520	4	126.6542	8.174	5	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(H)(O)	C[6a](C[6a,6a]C[6a,6a]S[6a])2(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]2)(H)(O)	C[6a](C[6a,6a]C[6a,6a]S[6a])2(CHO){2|S<2>,3|C<3>}	O(CC[6a]H)	123.0610	0.000	1	123.0610	0.000	1	126.6542	8.174	5	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	O(CC[6a]H)	128.3593	0.829	4	128.3593	0.687	4	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]H)	123.2720	0.000	1	123.2720	0.000	1	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	O(CC[6a]H)	124.5895	0.434	4	124.5895	0.188	4	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]H)	124.2970	0.000	1	124.2970	0.000	1	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]H)	128.2700	0.000	1	128.2700	0.000	1	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]H)	122.8020	0.000	1	126.0673	7.548	9	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	127.7785	2.533	4	126.0673	7.548	9	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	O(CC[6a]H)	124.0410	0.509	2	126.0673	7.548	9	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	O(CC[6a]H)	126.3040	3.190	2	126.0673	7.548	9	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CHO){2|H<1>,3|C<3>}	O(CC[6a]H)	127.0370	0.000	1	127.0370	0.000	1	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CHO){1|H<1>,5|C<3>}	O(CC[6a]H)	127.6000	0.000	1	127.6000	0.000	1	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]H)	124.2550	0.096	3	125.2083	3.751	20	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	123.4093	0.439	3	125.2083	3.751	20	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	O(CC[6a]H)	126.7783	1.406	10	125.2083	3.751	20	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|O<2>,3|C<3>}	O(CC[6a]H)	123.3475	0.845	4	125.2083	3.751	20	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHO){1|H<1>,3|C<3>}	O(CC[6a]H)	122.7250	0.000	1	122.7250	0.000	1	125.6690	4.815	43	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CHO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]H)	124.9100	0.000	1	124.9100	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CHO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	123.9710	0.000	1	123.9710	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(CHO){1|C<3>,2|O<2>}	O(CC[6a]H)	124.1110	0.000	1	124.1110	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	124.8350	0.000	1	124.8950	0.164	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]H)	124.5240	0.000	1	124.8950	0.164	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	125.3260	0.000	1	124.8950	0.164	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	124.5650	0.764	2	124.5650	0.583	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	125.4050	0.000	1	125.4050	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]H)	124.6183	0.284	3	124.6183	0.081	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHO){4|C<3>}	O(CC[6a]H)	124.9490	0.915	6	124.9490	0.838	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CHO){1|O<2>,2|C<3>}	O(CC[6a]H)	124.1320	0.000	1	124.1320	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]H)	124.8400	0.000	1	125.4717	0.251	9	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	125.1020	0.000	1	125.4717	0.251	9	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]H)	125.2910	0.000	1	125.4717	0.251	9	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	125.6687	0.491	6	125.4717	0.251	9	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(CC[6a]H)	125.1030	0.000	1	124.6477	0.274	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.4200	0.486	2	124.6477	0.274	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CHO){1|H<1>,4|C<3>}	O(CC[6a]H)	124.7901	1.723	7	124.7901	2.968	7	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]H)	124.3160	0.000	1	124.3160	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(CC[6a]H)	123.8115	0.581	2	123.9490	0.316	5	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|S<2>,3|C<3>}	O(CC[6a]H)	124.3590	0.508	2	123.9490	0.316	5	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]H)	123.4040	0.000	1	123.9490	0.316	5	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	123.9255	0.170	2	123.9255	0.029	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHO){1|C<3>,2|C<4>,3|H<1>}	O(CC[6a]H)	127.1890	2.559	3	127.1890	6.550	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHO){1|C<3>,2|C<4>}	O(CC[6a]H)	126.2240	0.000	1	126.2240	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]H)	125.3623	0.763	4	125.3571	0.858	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	125.3520	1.191	4	125.3571	0.858	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	124.3320	0.000	1	123.6215	1.010	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	122.9110	0.000	1	123.6215	1.010	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(CC[6a]H)	124.0934	0.828	5	124.0015	0.599	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	123.5420	0.000	1	124.0015	0.599	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	125.3190	0.000	1	125.3190	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]H)	123.4620	0.000	1	124.3955	1.743	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	O(CC[6a]H)	125.3290	0.000	1	124.3955	1.743	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|Br<1>,4|C<3>}	O(CC[6a]H)	123.9265	1.067	2	123.9265	1.139	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.5585	2.188	2	124.5585	4.790	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.5467	0.272	3	124.5467	0.074	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	127.0780	0.000	1	127.0780	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	123.6710	0.000	1	124.2023	0.389	4	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO){3|C<3>}	O(CC[6a]H)	124.3793	0.628	3	124.2023	0.389	4	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO){2|C<3>}	O(CC[6a]H)	123.6235	0.265	8	123.6235	0.070	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO){2|C<3>}	O(CC[6a]H)	123.9010	0.023	2	123.9010	0.001	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CHO){2|C<3>}	O(CC[6a]H)	126.2560	0.000	1	126.2560	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.2890	1.242	2	124.2890	1.542	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHO){2|C<3>}	O(CC[6a]H)	125.7850	0.000	1	125.7850	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	123.9538	0.416	6	124.1500	0.398	9	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|O<2>,2|C<3>}	O(CC[6a]H)	124.5423	0.902	3	124.1500	0.398	9	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHO){1|O<2>,2|C<3>}	O(CC[6a]H)	127.0620	0.000	1	127.0620	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHO){2|C<3>}	O(CC[6a]H)	123.9375	0.628	22	123.9375	0.395	22	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.2770	0.000	1	124.2770	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	126.2760	0.000	1	126.2760	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]H)	123.9770	0.638	3	123.9735	0.412	19	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	O(CC[6a]H)	123.3700	0.645	5	123.9735	0.412	19	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	O(CC[6a]H)	124.2692	0.400	9	123.9735	0.412	19	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO){5|C<3>}	O(CC[6a]H)	124.1460	0.996	2	123.9735	0.412	19	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO){1|O<2>,4|C<3>}	O(CC[6a]H)	126.2670	0.000	1	125.7910	0.453	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO){5|C<3>}	O(CC[6a]H)	125.3150	0.000	1	125.7910	0.453	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)2(CHO){1|C<2>,1|H<1>,5|C<3>}	O(CC[6a]H)	132.2540	1.089	2	129.9097	17.081	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)2(CHO){1|H<1>,6|C<3>}	O(CC[6a]H)	125.2210	0.000	1	129.9097	17.081	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	127.4950	0.000	1	127.4950	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]H)	124.6860	0.000	1	124.6860	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	122.3270	0.000	1	122.3270	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]H)	122.8745	0.525	2	123.4696	0.453	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]H)	123.3980	0.000	1	123.4696	0.453	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	123.3473	0.634	3	123.4696	0.453	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,2|O<2>}	O(CC[6a]H)	124.2840	0.047	2	123.4696	0.453	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	122.5690	0.000	1	122.5690	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]H)	126.7230	0.000	1	126.7230	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]H)	123.9160	0.000	1	124.7181	5.526	22	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	126.8880	0.245	3	124.7181	5.526	22	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]H)	121.7990	0.000	1	124.7181	5.526	22	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	123.3360	0.000	1	124.7181	5.526	22	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	124.8159	2.425	15	124.7181	5.526	22	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	121.8450	0.000	1	124.7181	5.526	22	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	125.0870	0.000	1	125.0870	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]H)	126.7557	0.493	3	125.3466	2.916	17	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	125.4443	2.377	3	125.3466	2.916	17	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]H)	123.6475	0.472	2	125.3466	2.916	17	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	124.5228	1.260	6	125.3466	2.916	17	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	127.6170	0.216	2	125.3466	2.916	17	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(CC[6a]H)	124.6270	0.000	1	125.3466	2.916	17	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)2(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	128.7140	0.000	1	128.7140	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHO){2|C<3>,2|C<4>,2|H<1>}	O(CC[6a]H)	124.1920	0.000	1	124.1920	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(CC[6a]H)	123.3000	0.000	1	123.0970	0.082	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,2|N<3>,3|H<1>}	O(CC[6a]H)	122.8940	0.000	1	123.0970	0.082	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHO){1|C<3>,2|S<2>,3|H<1>}	O(CC[6a]H)	128.2820	0.000	1	128.2820	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	127.1790	0.000	1	127.1790	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	123.6207	0.729	3	123.3482	0.394	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]H)	122.6110	0.000	1	123.3482	0.394	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	123.0480	0.000	1	123.3482	0.394	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]H)	123.5680	0.000	1	123.3482	0.394	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	123.4190	0.000	1	123.4190	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)2(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	125.6930	0.000	1	125.6930	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]H)	122.6050	0.000	1	122.5565	0.005	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]H)	122.5080	0.000	1	122.5565	0.005	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.0970	0.000	1	124.0970	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	126.2160	0.000	1	126.2160	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)2(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	123.8080	0.000	1	123.8080	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	123.5950	0.000	1	123.5950	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]H)	123.0823	2.741	3	125.0343	3.458	32	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]H)	126.9910	0.000	1	125.0343	3.458	32	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	124.3390	0.000	1	125.0343	3.458	32	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	125.1619	1.725	26	125.0343	3.458	32	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	126.3120	0.000	1	125.0343	3.458	32	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|C<4>}	O(CC[6a]H)	124.5761	0.731	7	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.1544	0.144	5	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|O<2>}	O(CC[6a]H)	123.3730	0.270	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,2|C<3>}	O(CC[6a]H)	122.9670	0.403	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|C<4>}	O(CC[6a]H)	125.1175	0.155	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.4070	0.000	1	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	124.5123	0.663	9	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]H)	123.7430	0.000	1	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]H)	124.3855	0.223	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]H)	124.2716	0.533	7	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]H)	123.8125	0.812	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	123.8149	0.698	32	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|I<1>,1|N<3>}	O(CC[6a]H)	120.6420	0.000	1	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|N<2>,1|O<2>}	O(CC[6a]H)	124.4299	0.541	8	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>}	O(CC[6a]H)	125.1829	1.531	13	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	124.4043	0.949	58	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	O(CC[6a]H)	124.8897	1.010	23	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|C<4>}	O(CC[6a]H)	124.5770	0.240	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|F<1>}	O(CC[6a]H)	123.4360	0.000	1	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.2790	0.669	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,2|C<3>}	O(CC[6a]H)	124.1223	0.073	3	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.1648	0.590	19	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|O<2>,2|C<3>}	O(CC[6a]H)	125.1935	0.237	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Se<2>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.2060	0.602	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Br<1>,1|C<3>}	O(CC[6a]H)	122.1458	4.164	4	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Cl<1>,1|C<3>}	O(CC[6a]H)	123.8290	0.392	2	124.3015	1.223	212	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	125.1693	1.700	3	125.1693	2.890	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	121.1610	0.000	1	125.3741	4.987	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	126.8724	0.227	5	125.3741	4.987	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO){1|C<4>,2|C<3>}	O(CC[6a]H)	123.7350	0.595	2	125.3741	4.987	8	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){1|C<3>,1|H<1>}	O(CC[6a]H)	124.3975	1.414	2	124.7433	3.812	7	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){2|C<3>}	O(CC[6a]H)	124.8816	2.266	5	124.7433	3.812	7	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|B<3>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.9730	0.000	1	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	125.8785	1.269	2	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]H)	124.3698	1.154	14	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	125.5507	0.745	79	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|H<1>,1|O<3>}	O(CC[6a]H)	124.1720	0.000	1	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|I<1>,1|O<2>}	O(CC[6a]H)	125.8540	0.486	2	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]H)	123.4250	0.000	1	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|C<4>}	O(CC[6a]H)	126.0120	0.402	6	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	124.8936	1.666	189	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|N<3>}	O(CC[6a]H)	122.6335	0.258	2	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|O<2>}	O(CC[6a]H)	125.2850	0.868	4	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|S<2>}	O(CC[6a]H)	124.1720	0.477	2	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<4>,2|C<3>}	O(CC[6a]H)	125.1316	0.703	5	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.5080	0.000	1	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	125.1738	0.839	22	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Ir<6>,1|C<3>,1|H<1>}	O(CC[6a]H)	125.5234	0.580	9	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|N<2>,2|H<1>}	O(CC[6a]H)	123.0360	0.690	3	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|O<2>,2|C<3>}	O(CC[6a]H)	125.4420	0.599	4	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Pd<4>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.9410	0.115	2	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Pd<5>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.6970	0.000	1	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Pt<4>,1|C<3>,1|H<1>}	O(CC[6a]H)	125.4440	0.000	1	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Ru<9>,1|C<3>,1|H<1>}	O(CC[6a]H)	124.3830	0.194	3	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){2|Br<1>,1|C<3>}	O(CC[6a]H)	124.2080	0.000	1	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){2|Cl<1>,1|C<3>}	O(CC[6a]H)	124.4575	0.630	2	125.0485	1.922	357	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]I)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]I)2(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	125.0590	0.000	1	125.0590	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	126.1550	0.000	1	126.1550	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N)2(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	121.7270	0.000	1	121.7270	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(CC[6a]H)	125.7810	0.000	1	125.7810	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(CC[6a]H)	123.4250	0.000	1	123.4250	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CHO){4|C<3>}	O(CC[6a]H)	123.6910	0.000	1	123.6910	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(CHO){1|C<2>,1|H<1>,3|C<3>}	O(CC[6a]H)	124.0930	0.000	1	124.0930	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]O)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]O)2(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	127.8040	0.030	2	125.6378	4.120	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]O)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]O)2(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.5547	1.475	4	125.6378	4.120	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]H)	122.3910	0.669	2	123.7297	5.600	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	126.4070	0.000	1	123.7297	5.600	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	O(CC[6a]H)	124.8520	0.000	1	124.8520	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CHO){2|C<3>}	O(CC[6a]H)	127.5330	0.000	1	127.5330	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHO){2|C<3>}	O(CC[6a]H)	123.5310	0.000	1	123.5310	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	O(CC[6a]H)	125.7007	0.646	14	125.7007	0.418	14	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	123.7437	0.413	3	124.1442	0.756	4	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,2|H<1>}	O(CC[6a]H)	125.3460	0.000	1	124.1442	0.756	4	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]H)	125.8800	0.000	1	125.8319	0.286	7	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,2|C<4>}	O(CC[6a]H)	126.4670	0.188	2	125.8319	0.286	7	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	O(CC[6a]H)	125.5023	0.381	4	125.8319	0.286	7	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)2(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	O(CC[6a]H)	126.0040	0.507	6	126.0040	0.257	6	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO){1|C<4>,2|C<3>}	O(CC[6a]H)	127.3800	0.310	2	127.3800	0.096	2	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO){1|C<3>,2|C<4>}	O(CC[6a]H)	126.6790	0.622	3	126.6790	0.387	3	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO){1|C<3>,2|C<4>}	O(CC[6a]H)	125.3940	0.000	1	125.3940	0.000	1	124.7881	2.114	901	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO)	O(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO){1|O<1>,4|C<3>}	O(CC[6a]H)	126.1640	0.000	1	126.1640	0.000	1	126.1640	0.000	1	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:N-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(N)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3100	0.000	1	121.3100	0.000	1	121.3100	0.000	1	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){3|C<3>,3|H<1>}	O(CC[6a]O)	117.7885	1.238	6	117.7885	1.534	6	117.7885	1.534	6	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]O)	118.0549	1.559	8	118.0549	2.431	8	118.0549	2.431	8	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	117.3707	0.904	28	117.3707	0.817	28	117.3707	0.817	28	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	117.0540	0.555	4	117.3415	0.594	6	117.4717	1.226	53	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	117.9165	1.026	2	117.3415	0.594	6	117.4717	1.226	53	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]O)	117.3508	1.134	4	117.4290	1.387	43	117.4717	1.226	53	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]O)	117.1790	0.118	4	117.4290	1.387	43	117.4717	1.226	53	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	117.3969	1.222	20	117.4290	1.387	43	117.4717	1.226	53	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	116.8148	0.733	4	117.4290	1.387	43	117.4717	1.226	53	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	117.8302	1.441	11	117.4290	1.387	43	117.4717	1.226	53	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	118.1260	0.459	4	118.1260	0.211	4	117.4717	1.226	53	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.4432	0.417	16	117.4432	0.174	16	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|N<3>,1|O<1>,1|S<2>}	O(CC[6a]O)	117.1220	2.148	2	117.1220	4.615	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	116.9785	6.526	2	116.9785	42.587	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.4650	1.332	2	117.4650	1.775	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	118.5975	0.143	4	118.5975	0.020	4	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.8013	2.358	4	117.8013	5.560	4	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	O(CC[6a]O)	118.1570	1.035	2	118.1570	1.072	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	117.5150	1.600	40	117.5150	2.561	40	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.3596	1.646	10	117.3596	2.711	10	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.8494	1.036	103	117.8494	1.074	103	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	118.1148	1.371	102	118.1045	1.762	126	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.0610	1.148	24	118.1045	1.762	126	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(COO){2|C<3>}	O(CC[6a]O)	117.8623	0.635	12	117.8623	0.404	12	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO){2|C<3>}	O(CC[6a]O)	117.8365	1.678	6	117.8365	2.815	6	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	118.7025	3.058	4	118.7025	9.348	4	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.6801	2.193	10	118.6801	4.809	10	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	117.8210	1.459	42	117.8210	2.127	42	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	118.5565	2.208	36	118.5573	4.869	58	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|C<4>,3|C<3>}	O(CC[6a]O)	119.6570	4.453	2	118.5573	4.869	58	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	118.4487	2.108	20	118.5573	4.869	58	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	119.6890	2.391	2	119.6890	5.719	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	117.3995	2.007	8	117.3995	4.028	8	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	116.6340	0.838	14	116.6340	0.702	14	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	116.5320	1.375	4	116.8965	3.056	8	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.2610	2.211	4	116.8965	3.056	8	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	116.3935	1.630	4	116.5530	2.683	30	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	116.5775	1.670	26	116.5530	2.683	30	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	116.7645	0.433	2	116.7645	0.188	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	118.2890	1.006	2	118.0340	2.572	733	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.6077	2.040	26	118.0340	2.572	733	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	119.2000	0.733	6	118.0340	2.572	733	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	116.8790	1.305	2	118.0340	2.572	733	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0987	1.490	287	118.0340	2.572	733	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	118.0765	1.503	94	118.0340	2.572	733	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.9811	1.700	316	118.0340	2.572	733	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	116.9404	1.000	30	116.9404	1.001	30	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0925	1.026	2	118.0925	1.053	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	118.5703	1.632	3	118.1103	6.309	11	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.9150	0.202	2	118.1103	6.309	11	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(COO){3|C<3>}	O(CC[6a]O)	117.6120	3.296	6	118.1103	6.309	11	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,2|N<3>}	O(CC[6a]O)	118.4680	7.121	2	118.4680	50.702	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	117.3937	0.752	6	117.5389	0.593	16	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	117.6261	0.807	10	117.5389	0.593	16	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	116.8118	1.789	38	116.8118	3.202	38	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	116.6593	1.302	4	117.1460	3.019	87	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.1695	1.758	83	117.1460	3.019	87	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.2440	0.451	2	116.7938	0.835	16	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	116.5866	0.760	14	116.7938	0.835	16	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0925	2.825	10	118.0925	7.981	10	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.6260	3.970	2	118.6260	15.758	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	116.5320	1.439	140	116.5504	2.275	146	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	116.9798	2.854	6	116.5504	2.275	146	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	116.9097	1.198	12	117.1132	1.926	42	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	117.2639	0.895	8	117.1132	1.926	42	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.1201	1.690	20	117.1132	1.926	42	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|I<1>}	O(CC[6a]O)	117.6625	1.438	2	117.1132	1.926	42	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	118.5720	0.034	2	117.6922	2.256	206	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	118.2537	0.967	7	117.6922	2.256	206	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	118.0163	1.151	12	117.6922	2.256	206	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.6780	1.538	174	117.6922	2.256	206	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	116.7490	1.518	9	117.6922	2.256	206	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.3825	0.954	2	117.6922	2.256	206	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	117.9580	1.530	2	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	118.6835	2.475	6	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	118.1190	2.251	2	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	118.0767	1.876	6	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	118.0115	2.366	6	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.8732	1.913	38	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<4>}	O(CC[6a]O)	118.5190	1.416	6	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	118.4479	1.399	74	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	118.1424	1.451	34	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.3643	1.392	219	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	117.9084	1.890	30	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	118.1562	1.123	18	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.0718	1.328	14	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	118.3733	1.409	18	118.2720	2.253	473	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.1876	2.336	8	117.1876	5.455	8	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.9479	1.675	52	117.9479	2.806	52	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	117.5493	1.016	8	117.7068	8.655	10	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	118.3370	8.347	2	117.7068	8.655	10	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|Br<1>,1|C<3>}	O(CC[6a]O)	117.0110	0.608	4	117.4086	1.928	70	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	118.0295	0.576	2	117.4086	1.928	70	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|F<1>}	O(CC[6a]O)	116.5490	1.458	2	117.4086	1.928	70	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	117.4299	1.081	48	117.4086	1.928	70	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.2325	0.712	2	117.4086	1.928	70	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){2|C<3>}	O(CC[6a]O)	117.5252	2.538	12	117.4086	1.928	70	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	118.4231	1.130	10	118.4231	1.277	10	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	118.2620	2.098	6	118.2620	4.401	6	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]O)	117.7337	1.902	6	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	117.8417	0.957	20	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]O)	117.5678	2.121	4	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	117.7860	0.885	12	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	117.5910	0.562	14	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	117.9057	0.935	28	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.5224	1.205	62	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<4>}	O(CC[6a]O)	117.4012	1.134	6	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	118.1673	1.042	66	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	118.0042	0.636	4	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|N<3>,1|N<4>}	O(CC[6a]O)	118.2130	1.271	2	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	118.8527	0.931	6	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.8522	1.281	1362	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|I<1>}	O(CC[6a]O)	118.6942	0.141	4	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	116.9661	1.281	173	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	118.4431	1.540	95	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	117.2752	0.494	4	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	117.6041	1.736	38	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.8697	1.438	143	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|I<1>,2|C<3>}	O(CC[6a]O)	118.4475	1.398	2	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|Ir<8>,1|C<3>,1|H<1>}	O(CC[6a]O)	117.0855	1.121	2	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|C<3>}	O(CC[6a]O)	117.7722	1.509	4	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	117.0125	3.673	24	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	117.5961	1.378	50	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|N<4>,2|C<3>}	O(CC[6a]O)	118.2903	0.694	12	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	117.9534	1.553	47	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|Pd<4>,1|C<3>,1|H<1>}	O(CC[6a]O)	117.6815	7.524	2	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){1|S<4>,2|C<3>}	O(CC[6a]O)	117.3710	0.412	10	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	118.2833	0.961	6	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	117.8164	1.455	204	117.7956	1.925	2412	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(COO){1|C<3>,1|N<2>,1|N<3>}	O(CC[6a]O)	117.5185	0.960	2	116.6495	4.941	12	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(COO){1|C<3>,2|I<1>}	O(CC[6a]O)	116.2432	2.825	6	116.6495	4.941	12	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	116.8245	1.907	4	116.6495	4.941	12	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.1438	1.970	6	117.1438	3.881	6	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	117.2540	1.119	2	117.2540	1.251	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.6645	1.280	62	118.6645	1.637	62	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]O)	117.0205	8.533	2	117.0205	72.806	2	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.2755	1.723	6	118.2755	2.969	6	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]O)	117.3995	1.633	2	117.0305	1.767	4	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]O)	116.6615	1.446	2	117.0305	1.767	4	117.8109	2.340	4983	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]O)	116.6018	1.541	4	116.1394	3.108	50	116.1394	3.108	50	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	116.1233	1.829	42	116.1394	3.108	50	116.1394	3.108	50	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	115.8465	1.509	4	116.1394	3.108	50	116.1394	3.108	50	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(O)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	116.5460	0.000	1	116.5460	0.000	1	117.2080	0.876	2	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(O)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	117.8700	0.000	1	117.8700	0.000	1	117.2080	0.876	2	118.9653	9.307	6155	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:2:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:N[6a]-2:C-3:	C-3:	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.0650	0.000	1	123.0650	0.000	1	122.7533	0.225	3	122.7533	0.225	3	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:2:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:N[6a]-2:C-3:	C-3:	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|C<3>}	O(CC[6a]O)	122.2080	0.000	1	122.5975	0.303	2	122.7533	0.225	3	122.7533	0.225	3	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:2:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:N[6a]-2:C-3:	C-3:	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|N<3>}	O(CC[6a]O)	122.9870	0.000	1	122.5975	0.303	2	122.7533	0.225	3	122.7533	0.225	3	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	O(CC[6a]N)	122.0540	0.000	1	121.9370	0.027	2	121.9370	0.027	2	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	O(CC[6a]N)	121.8200	0.000	1	121.9370	0.027	2	121.9370	0.027	2	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	122.9900	0.000	1	122.9900	0.000	1	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]O)	123.2500	0.000	1	123.2500	0.000	1	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]O)	122.7670	0.061	2	122.6543	0.237	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.1150	0.000	1	122.6543	0.237	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	121.9680	0.000	1	122.6543	0.237	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	124.3960	0.000	1	124.3960	0.000	1	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|C<2>,2|C<3>}	O(CC[6a]O)	123.9770	0.000	1	123.5300	1.282	40	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	123.7690	1.747	4	123.5300	1.282	40	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Cl<1>,2|C<3>}	O(CC[6a]O)	125.3900	0.000	1	123.5300	1.282	40	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.8185	1.459	2	123.5300	1.282	40	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	124.5410	0.000	1	123.5300	1.282	40	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	123.4198	1.108	27	123.5300	1.282	40	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Se<2>,2|C<3>}	O(CC[6a]O)	122.7900	0.000	1	123.5300	1.282	40	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	123.1507	0.467	3	123.5300	1.282	40	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	123.8572	0.801	4	123.8572	0.642	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	O(CC[6a]O)	123.9420	0.136	2	123.9420	0.018	2	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	O(CC[6a]O)	122.5970	0.000	1	122.5970	0.000	1	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.8440	0.000	1	122.8440	0.000	1	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.6770	1.043	6	124.6770	1.087	6	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	121.3980	0.000	1	121.9748	0.846	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.2430	1.435	2	121.9748	0.846	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	122.0150	0.000	1	121.9748	0.846	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Cl<1>,2|C<3>}	O(CC[6a]O)	121.3480	0.274	2	121.9025	0.437	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.4570	0.075	2	121.9025	0.437	4	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	122.3275	0.728	2	122.3275	0.529	2	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.4435	0.400	2	122.4435	0.160	2	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OZn)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OZn)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	119.2100	0.000	1	119.2100	0.000	1	123.2909	1.600	74	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-2:N[6a]-3:C-3:	C-3:	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	O[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OC)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OC)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	122.7388	0.780	6	122.7388	0.609	6	122.1544	2.898	7	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	O[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OMg)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OMg)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	118.6480	0.000	1	118.6480	0.000	1	122.1544	2.898	7	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	S[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]S[6a])(OC)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]S[6a])(OC)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(COO){5|B<6>}	O(CC[6a]O)	124.0830	0.000	1	124.0830	0.000	1	122.3765	1.876	4	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	S[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]S[6a])(OC)(O)	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]S[6a])(OC)(O)	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(COO){1|N<2>,1|N<3>,1|O<1>}	O(CC[6a]O)	121.2705	0.112	2	121.2705	0.013	2	122.3765	1.876	4	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	2:3:3:	3:	C[6a]-3:O-2:O-1:	S[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]S[6a])(OC)(O)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]S[6a])(OC)(O)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	122.8820	0.000	1	122.8820	0.000	1	122.3765	1.876	4	123.1300	1.766	88	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]N[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.9553	1.302	4	120.2821	0.765	22	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.3547	0.784	18	120.2821	0.765	22	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	122.4240	0.000	1	122.4240	0.000	1	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	O(CC[6a]N)	123.8280	0.000	1	123.8280	0.000	1	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.5220	0.000	1	119.5220	0.000	1	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	121.1980	0.000	1	120.6550	0.590	2	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.1120	0.000	1	120.6550	0.590	2	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.4660	0.000	1	120.4660	0.000	1	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	117.7300	0.000	1	117.7300	0.000	1	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.5440	0.000	1	122.3640	1.249	3	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.7740	0.639	2	122.3640	1.249	3	120.5806	1.738	32	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.9200	0.000	1	124.9200	0.000	1	124.5144	0.436	8	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	O(CC[6a]O)	124.3912	0.824	5	124.3912	0.679	5	124.5144	0.436	8	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){1|H<1>,2|C<3>,3|C<4>}	O(CC[6a]O)	124.4250	0.000	1	124.6195	0.076	2	124.5144	0.436	8	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){2|C<3>,2|C<4>,2|H<1>}	O(CC[6a]O)	124.8140	0.000	1	124.6195	0.076	2	124.5144	0.436	8	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6,6a]N[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]N[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	O(CC[6a]O)	122.7860	0.000	1	122.7860	0.000	1	122.7860	0.000	1	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]N[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	122.8077	0.064	3	122.8077	0.004	3	122.8077	0.004	3	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(COO){3|C<3>}	O(CC[6a]O)	121.7190	0.000	1	121.7190	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	125.0890	0.000	1	124.0910	1.992	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.0930	0.000	1	124.0910	1.992	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.6550	0.953	3	123.6550	0.908	3	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(COO){3|C<3>}	O(CC[6a]O)	123.2695	0.319	2	123.2695	0.102	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	123.0925	0.745	6	123.3671	0.927	11	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.3655	1.051	4	123.3671	0.927	11	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.0210	0.000	1	123.3671	0.927	11	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.9020	0.000	1	124.9020	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(COO){5|C<3>}	O(CC[6a]O)	124.4380	0.000	1	124.4380	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){1|C<4>,4|C<3>}	O(CC[6a]O)	125.1050	0.000	1	124.1570	1.797	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){5|C<3>}	O(CC[6a]O)	123.2090	0.000	1	124.1570	1.797	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	122.5050	0.000	1	122.5050	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.9433	0.976	4	124.3528	1.554	5	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	125.9910	0.000	1	124.3528	1.554	5	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	124.3640	0.000	2	124.3640	0.000	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	122.6150	0.000	1	122.6150	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	124.7570	0.000	1	124.7570	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Br<1>,2|C<3>}	O(CC[6a]O)	122.4550	0.550	5	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	122.9548	2.318	5	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	124.8350	0.000	1	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	123.8255	1.061	4	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	125.5630	0.000	1	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]O)	123.4570	0.000	1	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.9171	0.897	9	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	122.9170	0.000	1	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.1250	0.000	1	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.0283	1.283	50	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|I<1>,2|C<3>}	O(CC[6a]O)	122.5923	1.042	4	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	O(CC[6a]O)	123.1031	0.964	15	123.1529	1.562	97	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(COO){1|N<3>,3|C<3>}	O(CC[6a]O)	122.9590	0.000	1	122.9590	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO){4|C<3>}	O(CC[6a]O)	123.5830	0.000	1	123.5830	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	124.4610	0.000	1	124.4610	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<2>,1|O<2>}	O(CC[6a]O)	121.4985	0.175	2	122.3292	1.687	6	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	O(CC[6a]O)	122.7445	1.453	4	122.3292	1.687	6	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	O(CC[6a]O)	123.1806	0.969	5	123.1806	0.940	5	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	O(CC[6a]O)	124.0793	0.921	3	124.0793	0.848	3	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	122.4398	1.224	4	123.3172	2.823	6	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|O<2>}	O(CC[6a]O)	125.0720	0.617	2	123.3172	2.823	6	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.8840	0.000	1	121.6956	0.770	5	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.3985	0.662	4	121.6956	0.770	5	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.4760	0.614	5	124.6984	1.442	8	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.1600	0.887	2	124.6984	1.442	8	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	122.8870	0.000	1	124.6984	1.442	8	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	123.5460	0.798	4	123.5460	0.638	4	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OGa)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OGa)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	119.8248	0.659	6	119.8248	0.434	6	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.2690	2.804	2	120.2690	7.865	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	122.7865	1.244	2	122.7865	1.547	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	122.6258	1.397	13	121.9781	1.877	86	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	121.0025	0.220	2	121.9781	1.877	86	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.1077	0.424	3	121.9781	1.877	86	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,2|C<3>}	O(CC[6a]O)	120.9640	2.597	4	121.9781	1.877	86	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.9713	1.248	59	121.9781	1.877	86	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	120.6140	0.000	1	121.9781	1.877	86	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	121.7520	0.000	1	121.9781	1.877	86	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	O(CC[6a]O)	121.7090	2.399	3	121.9781	1.877	86	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	119.9997	0.201	3	119.9997	0.040	3	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|N<2>,3|C<3>}	O(CC[6a]O)	120.9745	0.220	2	120.9745	0.048	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	O(CC[6a]O)	121.8212	0.690	14	121.5823	1.205	42	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	121.7802	1.293	19	121.5823	1.205	42	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	O(CC[6a]O)	120.7929	0.864	9	121.5823	1.205	42	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	O(CC[6a]O)	121.6890	0.000	1	121.6890	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	121.5950	0.980	7	121.5340	0.853	8	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){2|C<3>}	O(CC[6a]O)	121.1070	0.000	1	121.5340	0.853	8	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	122.4560	0.475	2	122.4560	0.226	2	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OIn[4])(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OIn[4])(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	118.2930	0.574	3	118.2930	0.330	3	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OSb)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OSb)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.2630	0.000	1	119.2630	0.000	1	122.4944	2.504	328	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	123.9250	0.000	1	123.9250	0.000	1	120.0238	6.159	16	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OC)(O)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OC)(O)	C[6a](C[6a]C[6a]Br)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	123.4030	0.000	1	123.4030	0.000	1	120.0238	6.159	16	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	121.9150	0.000	1	121.9150	0.000	1	120.0238	6.159	16	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OH)(O)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OH)(O)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	119.7848	1.633	6	119.7848	2.667	6	120.0238	6.159	16	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	121.2377	0.647	3	121.2377	0.418	3	120.0238	6.159	16	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OH)(O)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OH)(O)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	118.7920	0.547	2	118.7920	0.300	2	120.0238	6.159	16	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(ONi)(O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(ONi)(O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	115.8520	0.000	1	115.8520	0.000	1	120.0238	6.159	16	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(OZn)(O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(OZn)(O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	115.2800	0.000	1	115.2800	0.000	1	120.0238	6.159	16	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:2:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(SC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS)	O(CC[6a]S)	C(C[6a]C[6a]N[6a])(SC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS){1|C<3>,1|H<1>}	O(CC[6a]S)	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	122.2769	3.082	390	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	124.2370	0.867	8	124.2370	0.751	8	124.2370	0.751	8	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.1200	0.000	1	122.1200	0.000	1	122.1395	0.875	32	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	122.4690	0.000	1	122.2689	0.683	29	122.1395	0.875	32	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.2617	0.841	28	122.2689	0.683	29	122.1395	0.875	32	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	119.7410	0.000	1	119.7410	0.000	1	122.1395	0.875	32	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a])(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.8070	0.000	1	120.8070	0.000	1	122.1395	0.875	32	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CNO){1|C<4>,1|N<3>,3|C<3>}	O(CC[6a]N)	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	O(CC[6a]N)	120.0010	0.000	1	120.0010	0.000	1	120.0010	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.2066	1.694	8	121.2066	2.869	8	121.1714	2.521	9	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	120.8900	0.000	1	120.8900	0.000	1	121.1714	2.521	9	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	122.5340	0.000	2	122.5340	0.000	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	O(CC[6a]N)	119.4580	0.000	1	119.4580	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.3337	0.527	3	117.3337	0.278	3	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	119.7890	0.421	2	119.7890	0.178	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.1795	1.073	2	120.1795	1.151	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	120.4590	0.000	1	120.5710	0.025	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.6830	0.000	1	120.5710	0.025	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]N)	120.8420	0.000	1	120.8420	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	120.3680	0.000	1	120.5364	2.710	59	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.6483	1.671	45	120.5364	2.710	59	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	120.5046	0.834	8	120.5364	2.710	59	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	120.4500	0.547	2	120.5364	2.710	59	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	119.0577	3.319	3	120.5364	2.710	59	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.9850	0.000	1	121.9850	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	118.8920	0.699	2	120.0966	0.682	33	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	121.3740	0.000	1	120.0966	0.682	33	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.1343	0.760	30	120.0966	0.682	33	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.5175	2.221	2	122.5175	4.933	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	117.5790	0.000	1	117.5790	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.5608	1.161	6	120.5608	1.348	6	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	119.6610	0.000	1	119.6610	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	118.0220	0.000	1	118.0220	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.4830	0.000	1	118.4830	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.1730	0.000	1	120.4777	0.283	3	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.0920	0.000	1	120.4777	0.283	3	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.1680	0.000	1	120.4777	0.283	3	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]N)	121.6770	0.000	1	120.9967	0.372	3	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.6565	0.221	2	120.9967	0.372	3	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.1850	0.000	1	120.9783	0.515	12	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	120.3670	0.088	2	120.9783	0.515	12	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	122.3310	0.000	1	120.9783	0.515	12	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.0613	0.585	8	120.9783	0.515	12	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.5048	1.301	5	120.5048	1.692	5	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.5330	0.000	1	121.5330	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.0280	0.000	1	119.0280	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.0245	0.033	2	120.0245	0.001	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.2545	0.697	2	119.7010	0.726	6	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.6540	0.000	1	119.7010	0.726	6	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	119.6810	0.847	3	119.7010	0.726	6	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.4440	0.000	1	121.4440	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.6545	0.086	2	120.6545	0.007	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.4700	0.000	1	121.9092	5.687	22	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.1008	2.097	12	121.9092	5.687	22	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	118.7018	0.780	4	121.9092	5.687	22	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	122.5100	0.000	1	121.9092	5.687	22	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	121.5015	1.809	4	121.9092	5.687	22	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[4])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[4])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	123.3760	0.000	1	123.3760	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.3454	1.869	7	119.3454	3.495	7	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3930	0.000	1	121.3930	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.6265	0.524	2	118.6265	0.275	2	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNi)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NNi)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.4680	0.000	1	118.4680	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2880	0.000	1	120.2880	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NP[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NP[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.0980	0.000	1	122.0980	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	116.8500	0.000	1	116.8500	0.000	1	120.4964	2.778	191	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	B[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]B[6a]C[6a])(OC)(O)	C[6a](B[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]B[6a]C[6a])(OC)(O)	C[6a](B[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.9340	0.000	1	126.9340	0.000	1	126.9340	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[4,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[4,6a]C[6a])(OH)(O)	C[6a](C[4,6a]N[4,6a]S[4])(C[6a]C[6a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[4,6a]C[6a])(OH)(O)	C[6a](C[4,6a]N[4,6a]S[4])(C[6a]C[6a,6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]2)(OC)(O)	C[6a](C[5,6a]C[5,6a]S[5])2(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]2)(OC)(O)	C[6a](C[5,6a]C[5,6a]S[5])2(COO){1|C<3>,2|C<4>,2|S<2>}	O(CC[6a]O)	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6,6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]N[6])(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6,6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]N[6])(COO){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	O(CC[6a]O)	124.7920	0.000	1	124.7920	0.000	1	124.7920	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(CC[6a]O)	122.8135	0.688	4	122.8135	0.473	4	122.8135	0.473	4	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(COO){1|H<1>,2|C<4>,3|C<3>}	O(CC[6a]O)	126.6020	0.000	1	126.6020	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]O)	125.7920	0.000	1	125.7920	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	125.0920	0.229	2	125.0920	0.052	2	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	O(CC[6a]O)	124.2810	0.813	2	124.2917	0.331	3	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,3|C<4>}	O(CC[6a]O)	124.3130	0.000	1	124.2917	0.331	3	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	123.1990	0.000	1	123.1990	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(CC[6a]O)	123.4270	0.000	1	123.4270	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]O)	123.1155	0.493	2	123.1155	0.243	2	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(COO){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	O(CC[6a]O)	123.1650	0.000	1	123.1650	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	124.4810	0.000	1	124.4810	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(COO){2|H<1>,3|C<3>,3|C<4>}	O(CC[6a]O)	124.8705	0.445	2	124.8705	0.198	2	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(CC[6a]O)	124.5360	0.000	1	124.1580	0.594	6	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){1|N<3>,1|O<1>,3|C<3>}	O(CC[6a]O)	123.8550	1.009	3	124.1580	0.594	6	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){2|C<3>,2|C<4>,2|H<1>}	O(CC[6a]O)	124.4235	0.613	2	124.1580	0.594	6	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]O)	124.9930	0.000	1	125.0190	5.910	3	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	O(CC[6a]O)	125.0320	3.438	2	125.0190	5.910	3	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>,3|C<4>}	O(CC[6a]O)	123.1100	0.000	1	123.5457	2.720	3	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]O)	123.7635	2.271	2	123.5457	2.720	3	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6a]O)	125.7100	0.000	1	125.7670	0.006	2	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]O)	125.8240	0.000	1	125.7670	0.006	2	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OC[6a])(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC[6a])(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|P<3>,3|C<3>}	O(CC[6a]O)	126.7600	0.000	1	126.7600	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6,6a]S[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6,6a]S[5])(C[6a]C[6a]H)(COO){1|C<3>,1|O<2>,2|C<4>}	O(CC[6a]O)	123.1720	0.000	1	123.1720	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	124.2697	0.806	3	124.2697	0.650	3	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(CC[6a]O)	120.3040	0.000	1	120.8727	0.413	4	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]O)	120.3300	0.000	1	120.8727	0.413	4	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]O)	121.3940	0.000	1	120.8727	0.413	4	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){3|C<3>,3|H<1>}	O(CC[6a]O)	121.4630	0.000	1	120.8727	0.413	4	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6a]O)	120.0900	0.000	1	120.0900	0.000	1	123.9537	3.013	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]2)(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]2)(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(COO){2|N<3>,5|C<3>}	O(CC[6a]O)	125.7070	0.000	1	125.7070	0.000	1	124.8805	1.366	2	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]2)(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]2)(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	124.0540	0.000	1	124.0540	0.000	1	124.8805	1.366	2	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a,6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a,6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(COO){1|N<2>,2|H<1>,4|C<3>}	O(CC[6a]O)	123.3620	0.000	1	123.3620	0.000	1	123.3620	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6a]O)	125.6020	0.000	1	125.9420	0.231	2	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	126.2820	0.000	1	125.9420	0.231	2	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	124.0950	0.000	1	124.0950	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CC[6a]O)	123.9190	0.099	2	123.9190	0.010	2	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	124.4680	0.064	2	124.4680	0.004	2	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CC[6a]O)	125.9610	0.185	2	125.0420	0.842	6	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	123.9580	0.148	2	125.0420	0.842	6	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|O<2>,3|C<3>}	O(CC[6a]O)	125.2070	0.243	2	125.0420	0.842	6	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]H)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	123.6340	0.000	1	123.6340	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(COO){1|C<2>,1|H<1>,3|C<3>}	O(CC[6a]O)	122.1800	0.000	1	122.1800	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]O)	123.7760	0.284	2	124.2980	1.218	7	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CC[6a]O)	126.3450	0.000	1	124.2980	1.218	7	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	O(CC[6a]O)	123.7410	1.288	2	124.2980	1.218	7	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.0340	0.000	1	124.2980	1.218	7	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.6730	0.000	1	124.2980	1.218	7	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	126.5710	0.000	1	126.5710	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	123.0335	1.193	2	123.0335	1.423	2	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(COO){1|H<1>,6|C<3>}	O(CC[6a]O)	125.2590	0.000	1	125.2590	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	123.6355	0.491	2	123.6355	0.242	2	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	121.6415	0.960	2	123.6077	5.773	4	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|Cl<1>,1|H<1>,3|C<3>}	O(CC[6a]O)	126.2570	0.000	1	123.6077	5.773	4	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.8910	0.000	1	123.6077	5.773	4	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	126.2560	0.000	1	126.2560	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	120.3695	0.482	2	120.3695	0.232	2	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(COO){1|C<4>,1|O<2>,3|C<3>}	O(CC[6a]O)	118.7190	0.000	1	118.7190	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CC[6a]O)	123.5890	0.000	1	123.5890	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(COO){1|H<1>,1|O<2>,4|C<3>}	O(CC[6a]O)	123.2130	0.731	2	123.2130	0.535	2	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(CC[6a]O)	124.1270	0.000	1	122.6863	1.558	3	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	121.9660	0.045	2	122.6863	1.558	3	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(OSn)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OSn)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|N<2>}	O(CC[6a]O)	118.8710	0.000	1	118.8710	0.000	1	123.7480	3.658	43	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6,6,6a]C[6a,6a])(OC)(O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6,6,6a]C[6a,6a])(OC)(O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(COO){2|C<4>,2|H<1>,4|C<3>}	O(CC[6a]O)	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]2)(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]2)(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(COO){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	O(CC[6a]O)	124.6300	0.423	2	124.6300	0.179	2	124.6300	0.179	2	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]O)	123.1750	0.000	1	123.1750	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(COO){1|C<4>,4|C<3>}	O(CC[6a]O)	122.0440	0.000	1	122.0440	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(COO){1|C<4>,4|C<3>}	O(CC[6a]O)	124.4100	0.000	1	124.4100	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	123.6600	0.000	1	123.6600	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	124.1607	0.978	6	124.0012	0.770	8	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(COO){2|C<3>,2|C<4>,2|H<1>}	O(CC[6a]O)	123.5230	0.038	2	124.0012	0.770	8	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	126.3100	0.518	2	126.3100	0.268	2	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(CC[6a]O)	125.5520	0.000	1	123.9930	4.861	2	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(COO){1|H<1>,2|C<4>,3|C<3>}	O(CC[6a]O)	122.4340	0.000	1	123.9930	4.861	2	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(CC[6a]O)	125.7150	0.000	1	125.7150	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(CC[6a]O)	123.9720	0.000	1	123.9617	4.811	4	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]O)	125.0205	2.768	2	123.9617	4.811	4	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|N<2>,1|O<2>,3|C<3>}	O(CC[6a]O)	121.8340	0.000	1	123.9617	4.811	4	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO){1|C<3>,2|C<4>,3|H<1>}	O(CC[6a]O)	123.5130	0.000	1	123.5130	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO){1|O<1>,3|C<3>}	O(CC[6a]O)	125.2630	0.808	3	125.2630	0.653	3	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]C[6a])(COO){1|H<1>,1|S<2>,5|C<3>}	O(CC[6a]O)	124.7313	0.832	3	124.7313	0.693	3	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	126.1590	0.000	1	126.1590	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OCo)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OCo)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]O)	117.3390	0.000	1	117.3390	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OCo)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OCo)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(COO){1|Co<6>,1|H<1>,3|C<3>}	O(CC[6a]O)	117.4860	0.000	1	117.4860	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(COO){1|N<2>,1|N<3>,3|C<3>}	O(CC[6a]O)	121.4980	0.000	1	121.4980	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|C<3>,2|C<4>,3|H<1>}	O(CC[6a]O)	124.1090	0.000	1	123.3800	1.063	2	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]O)	122.6510	0.000	1	123.3800	1.063	2	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO){2|C<3>,3|O<2>}	O(CC[6a]O)	118.0460	0.000	1	118.0460	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(COO){2|C<3>,2|C<4>}	O(CC[6a]O)	119.6570	0.000	1	119.6570	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(ORe)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(ORe)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(COO){1|Re<6>,1|H<1>,3|C<3>}	O(CC[6a]O)	118.4060	0.933	2	118.4060	0.871	2	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(OZn)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OZn)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(COO){1|Zn<5>,1|H<1>,3|C<3>}	O(CC[6a]O)	118.3790	0.000	1	118.3790	0.000	1	123.1564	7.206	39	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(COO){3|H<1>,5|C<3>}	O(CC[6a]O)	124.4400	0.059	2	124.4400	0.004	2	124.4400	0.004	2	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6,6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(COO){1|N<2>,1|O<1>,4|C<3>}	O(CC[6a]O)	122.8130	0.882	2	122.8130	0.779	2	122.8130	0.779	2	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(COO){1|H<1>,1|N<2>,5|C<3>}	O(CC[6a]O)	124.2865	0.077	2	124.2865	0.006	2	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	125.0050	0.000	1	125.0050	0.000	1	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){1|N<2>,2|H<1>,4|C<3>}	O(CC[6a]O)	125.1030	0.000	1	124.7790	1.371	31	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	124.7682	1.190	30	124.7790	1.371	31	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC[3x6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[3x6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	124.6340	0.000	1	124.6340	0.000	1	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	124.2300	0.813	3	124.2300	0.661	3	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){1|N<2>,2|H<1>,4|C<3>}	O(CC[6a]O)	125.6621	0.839	9	125.7779	0.760	10	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	126.8200	0.000	1	125.7779	0.760	10	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OCd)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OCd)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	114.3380	0.000	1	114.3380	0.000	1	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	121.8859	2.137	24	121.8859	4.566	24	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OSi[4x6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OSi[4x6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	121.7750	0.000	1	121.7750	0.000	1	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OSn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(OSn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	121.9860	0.120	2	121.9860	0.014	2	123.7129	5.519	76	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	123.8448	0.655	8	123.8448	0.429	8	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	122.8500	0.000	1	122.8500	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.2249	0.573	12	125.5394	2.599	22	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	127.1168	0.771	10	125.5394	2.599	22	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6,6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.1220	0.000	1	124.1220	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(COO){1|S<2>,4|C<3>}	O(CC[6a]O)	123.6135	0.385	2	123.6135	0.149	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	123.9760	0.000	1	123.9760	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C)(COO){5|C<3>}	O(CC[6a]O)	123.8015	2.029	4	123.8015	4.118	4	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(COO){5|C<3>}	O(CC[6a]O)	124.4145	3.696	2	124.4145	13.661	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.2170	0.000	1	124.2170	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6a]O)	124.6960	0.498	2	125.3918	1.187	4	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	126.9170	0.000	1	125.3918	1.187	4	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	125.2580	0.000	1	125.3918	1.187	4	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	123.8180	0.318	2	123.8180	0.101	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	123.3580	0.000	1	123.3580	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(COO){1|Br<1>,4|C<3>}	O(CC[6a]O)	124.8620	0.771	4	124.4460	1.311	5	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	122.7820	0.000	1	124.4460	1.311	5	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	125.5140	0.000	1	124.4152	0.577	5	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.0405	0.274	2	124.4152	0.577	5	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.2405	0.827	2	124.4152	0.577	5	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|Br<1>,4|C<3>}	O(CC[6a]O)	123.7730	0.000	1	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(CC[6a]O)	124.7507	1.407	3	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]O)	125.5324	0.695	5	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]O)	125.2138	0.603	5	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	124.9130	0.000	1	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]O)	124.7717	0.568	3	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	124.6830	0.000	1	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.4288	1.169	4	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	125.2350	0.770	3	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|O<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	124.8080	0.724	2	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>,2|O<2>}	O(CC[6a]O)	120.8540	0.000	1	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	125.9763	0.983	19	125.2730	1.448	48	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]O)	124.2480	0.000	1	125.3245	2.318	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	126.4010	0.000	1	125.3245	2.318	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO){1|C<4>,1|H<1>,5|C<3>}	O(CC[6a]O)	123.7410	0.000	1	124.5317	0.482	3	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO){1|H<1>,5|C<3>}	O(CC[6a]O)	124.9270	0.160	2	124.5317	0.482	3	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(COO){1|C<4>,1|O<2>,3|C<3>}	O(CC[6a]O)	123.8820	0.000	1	123.6195	0.138	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]O)	123.3570	0.000	1	123.6195	0.138	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.5940	0.000	1	124.5940	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(COO){1|H<1>,1|N<3>,5|C<3>}	O(CC[6a]O)	124.2355	0.228	2	124.2355	0.052	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	123.3570	0.000	1	123.8880	0.564	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(COO){1|N<3>,1|O<1>,3|C<3>}	O(CC[6a]O)	124.4190	0.000	1	123.8880	0.564	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]O)	123.7810	0.000	1	123.7810	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	124.4190	0.000	1	124.4190	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]O)	124.4720	0.000	1	124.8160	0.237	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	125.1600	0.000	1	124.8160	0.237	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	124.2242	0.605	5	124.2242	0.366	5	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	125.1480	0.950	2	125.1480	0.903	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]O)	125.5330	0.000	1	124.9535	0.672	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	O(CC[6a]O)	124.3740	0.000	1	124.9535	0.672	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(COO){1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]O)	122.9010	0.000	1	122.9010	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	125.0910	0.000	1	125.0910	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.5450	2.140	3	124.5450	4.580	3	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	126.4668	0.390	5	126.4668	0.152	5	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	126.4985	0.767	4	126.4985	0.588	4	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OCu)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OCu)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	118.6305	0.124	2	118.6305	0.015	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	120.4372	3.004	6	120.4372	9.025	6	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(COO){1|N<3>,1|O<2>,3|C<3>}	O(CC[6a]O)	122.5130	0.000	1	122.5130	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	125.3300	0.000	1	125.3300	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(COO){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]O)	122.4700	0.000	1	122.4700	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]O)	122.2157	0.993	6	122.6174	2.789	29	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	124.3340	0.000	1	122.6174	2.789	29	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	121.4698	1.173	8	122.6174	2.789	29	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	122.4285	1.630	2	122.6174	2.789	29	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|O<2>,4|C<3>}	O(CC[6a]O)	119.6400	0.000	1	122.6174	2.789	29	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	123.8203	1.469	11	122.6174	2.789	29	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(COO){1|C<4>,3|C<3>}	O(CC[6a]O)	123.1680	0.000	1	123.1680	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	122.5200	0.000	1	122.5200	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	120.5880	0.000	1	120.5880	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(COO){1|Br<1>,3|C<3>}	O(CC[6a]O)	120.6690	0.000	1	123.0245	11.097	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	125.3800	0.000	1	123.0245	11.097	2	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OMn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OMn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	118.4500	0.000	1	118.4500	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OMn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OMn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]O)	117.8630	0.000	1	118.2084	0.875	10	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OMn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OMn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	118.4321	0.868	8	118.2084	0.875	10	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OMn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OMn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	116.7640	0.000	1	118.2084	0.875	10	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(ONi)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(ONi)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]O)	119.9280	0.000	1	119.9280	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OZn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OZn)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	119.2200	0.000	1	119.2200	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OZn)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OZn)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	121.5030	0.000	1	121.5030	0.000	1	123.9028	5.679	205	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OAl)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OAl)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.6880	0.000	1	122.6880	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OB)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OB)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.2660	0.228	4	120.2660	0.052	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OB)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OB)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.0610	1.112	7	122.0610	1.237	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OB[3x6])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OB[3x6])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.6790	0.000	1	123.6790	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OB[5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OB[5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.4230	0.000	1	122.4230	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OB[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OB[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.4650	0.000	1	122.4650	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	118.8275	0.743	2	118.8275	0.552	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[5,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[3,5,6]C[6a])(C[6a]C[5,6a]H)(COO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(CC[6a]O)	126.5970	0.000	1	126.5970	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[3x3]C[6a])(C[6a]C[6,6a]O)(COO){2|C<3>,2|C<7>,2|H<2>,3|H<1>}	O(CC[6a]O)	123.1920	0.000	1	123.1920	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,4|C<3>}	O(CC[6a]O)	126.2250	0.000	1	126.2250	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	125.8300	0.000	1	125.8300	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.5086	0.971	5	123.1804	0.959	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(COO){3|C<3>}	O(CC[6a]O)	122.6333	0.869	3	123.1804	0.959	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	123.9660	0.000	1	123.9660	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){2|C<4>,5|C<3>}	O(CC[6a]O)	125.0240	0.000	1	125.0240	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(COO){2|C<4>,3|C<3>}	O(CC[6a]O)	124.9910	0.372	2	124.9910	0.138	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(COO){1|C<2>,1|C<4>,3|C<3>}	O(CC[6a]O)	123.2820	0.000	1	122.6980	0.682	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(COO){2|O<2>,3|C<3>}	O(CC[6a]O)	122.1140	0.000	1	122.6980	0.682	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	125.8740	0.000	1	125.8740	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]O)	125.1860	0.000	1	124.5147	0.714	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.4028	0.867	6	124.5147	0.714	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.5776	0.611	5	124.3893	0.403	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.6126	0.366	12	124.3893	0.403	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	124.9960	0.000	1	124.3893	0.403	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|S<3>}	O(CC[6a]O)	123.3950	0.000	1	124.3893	0.403	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	125.0160	0.000	1	124.3893	0.403	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.8570	0.000	1	124.3893	0.403	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.1430	0.493	3	124.3893	0.403	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	123.0950	0.522	2	124.3893	0.403	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.2617	1.593	3	124.2617	2.536	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(COO){1|O<1>,2|N<3>}	O(CC[6a]O)	124.0430	0.000	1	124.0430	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.7260	1.174	2	124.7260	1.378	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(COO){1|H<1>,1|N<2>,1|N<3>}	O(CC[6a]O)	124.7190	0.000	1	124.7190	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.8645	0.387	2	126.8120	0.083	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	126.7070	0.000	1	126.8120	0.083	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	125.1775	0.623	2	125.1775	0.388	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6a]O)	123.7680	0.450	2	123.7680	0.202	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6a]O)	125.1620	0.000	1	125.1620	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(COO){6|C<3>}	O(CC[6a]O)	123.6430	0.000	1	123.6430	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	O(CC[6a]O)	124.8707	0.613	3	124.8707	0.375	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]S)(COO){4|C<3>}	O(CC[6a]O)	124.7260	0.000	1	124.7260	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(COO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]O)	124.8600	0.000	1	124.8600	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.5700	0.000	1	124.5700	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.5990	1.358	2	124.5990	1.843	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]O)	124.0475	0.487	2	124.5107	0.314	84	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	124.4248	0.490	44	124.5107	0.314	84	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.3548	0.430	13	124.5107	0.314	84	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]O)	124.4370	0.252	4	124.5107	0.314	84	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.8374	0.740	18	124.5107	0.314	84	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	125.3410	0.000	1	124.5107	0.314	84	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	124.6665	0.271	2	124.5107	0.314	84	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.9073	0.731	3	126.2263	2.212	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(COO){3|C<3>}	O(CC[6a]O)	124.1830	0.000	1	126.2263	2.212	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	123.7690	0.000	1	123.6635	0.022	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.5580	0.000	1	123.6635	0.022	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	124.6650	0.000	1	124.6650	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(COO){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(CC[6a]O)	123.2420	0.000	1	124.1523	1.353	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>,2|O<2>}	O(CC[6a]O)	124.6075	1.210	2	124.1523	1.353	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(CC[6a]O)	123.7900	0.000	1	124.6246	0.543	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	125.5240	0.000	1	124.6246	0.543	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|S<2>,3|C<3>}	O(CC[6a]O)	124.2850	0.000	1	124.6246	0.543	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]O)	125.2680	0.000	1	124.6246	0.543	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	124.2560	0.000	1	124.6246	0.543	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	123.0430	0.000	1	123.0430	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|S<2>,2|C<3>}	O(CC[6a]O)	123.5450	1.090	3	123.5450	1.187	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	121.3710	0.000	1	122.3500	1.917	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(COO){3|C<3>}	O(CC[6a]O)	123.3290	0.000	1	122.3500	1.917	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[5,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[5,6a]C)(COO){2|C<4>,3|C<3>}	O(CC[6a]O)	124.8020	0.000	1	124.8020	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	O(CC[6a]O)	125.4780	0.000	1	125.4780	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.2230	0.000	1	126.2230	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	123.8590	0.000	1	123.8590	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	124.1400	0.000	1	124.1400	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,1|C<4>}	O(CC[6a]O)	123.7110	0.000	1	124.4687	0.352	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.5094	0.608	15	124.4687	0.352	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.8182	0.429	5	124.4687	0.352	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.1488	0.540	5	124.4687	0.352	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.4540	0.000	1	123.4690	1.109	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	122.3590	0.000	1	123.4690	1.109	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.5940	0.000	1	123.4690	1.109	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.8810	0.000	1	125.0670	0.169	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.1600	0.535	2	125.0670	0.169	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	124.1795	0.141	2	124.1795	0.020	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO){3|C<3>}	O(CC[6a]O)	123.8855	0.357	2	123.8855	0.128	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]O)2(COO){3|C<3>}	O(CC[6a]O)	123.2210	1.855	2	123.2210	3.443	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]Si)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6,6a]Si)(C[6a]C[6a]C)(COO){1|Si<4>,1|C<3>,1|C<4>}	O(CC[6a]O)	124.7690	2.348	2	124.7690	5.511	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.8530	0.000	1	125.8530	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.1808	4.632	4	123.8488	7.222	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.0010	0.638	2	123.8488	7.222	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(COO){3|C<3>}	O(CC[6a]O)	124.3224	1.060	5	123.8488	7.222	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[5,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[5,6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.6520	0.000	1	124.6520	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	123.8503	0.856	3	123.8503	0.733	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	125.7830	0.000	1	125.7830	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO){1|C<2>,6|C<3>}	O(CC[6a]O)	123.0845	0.472	2	124.0850	3.114	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	O(CC[6a]O)	126.0860	0.000	1	124.0850	3.114	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|C<2>,4|C<3>}	O(CC[6a]O)	123.3630	0.000	1	124.5660	1.289	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	125.7180	0.000	1	124.5660	1.289	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|S<2>,4|C<3>}	O(CC[6a]O)	125.8430	0.000	1	124.5660	1.289	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){5|C<3>}	O(CC[6a]O)	123.9530	0.024	2	124.5660	1.289	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	125.3304	2.079	5	125.3304	4.323	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	O(CC[6a]O)	125.1650	0.979	3	125.1650	0.958	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(COO){4|C<3>}	O(CC[6a]O)	124.8120	0.000	1	124.8120	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(COO){4|C<3>}	O(CC[6a]O)	126.2890	0.000	1	126.2890	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){1|C<4>,4|C<3>}	O(CC[6a]O)	123.7440	0.000	1	124.6690	0.871	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.6530	0.000	1	124.6690	0.871	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){2|C<3>,2|N<2>}	O(CC[6a]O)	125.6100	0.000	1	124.6690	0.871	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(COO){2|C<3>}	O(CC[6a]O)	123.8830	0.000	1	123.8830	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.0105	0.511	2	124.0105	0.261	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.2920	0.742	6	124.3533	0.485	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO){3|C<3>}	O(CC[6a]O)	124.7210	0.000	1	124.3533	0.485	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(COO){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	O(CC[6a]O)	124.9800	0.000	1	124.9800	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	123.9190	1.005	3	124.4670	0.384	24	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.2450	0.000	1	124.4670	0.384	24	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.7269	0.559	14	124.4670	0.384	24	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	124.0510	0.346	2	124.4670	0.384	24	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	124.2320	0.241	4	124.4670	0.384	24	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(COO){1|C<2>,2|C<3>}	O(CC[6a]O)	125.1660	0.448	3	125.3685	0.298	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(COO){3|C<3>}	O(CC[6a]O)	125.9760	0.000	1	125.3685	0.298	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.3658	0.688	6	124.1200	1.258	15	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.4754	0.789	7	124.1200	1.258	15	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	126.9860	0.000	1	124.1200	1.258	15	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){3|C<3>}	O(CC[6a]O)	124.2910	0.000	1	124.1200	1.258	15	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	124.6380	0.000	1	124.6380	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO){2|C<3>}	O(CC[6a]O)	125.1603	1.036	3	125.1603	1.074	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(COO){2|C<3>}	O(CC[6a]O)	124.7245	0.359	2	124.7245	0.129	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	O(CC[6a]O)	125.3395	0.943	2	125.3395	0.888	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.3320	0.000	1	126.3320	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO){2|C<3>}	O(CC[6a]O)	123.9705	1.734	22	123.9705	3.007	22	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]S[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]S[6a]O)(COO){2|C<3>}	O(CC[6a]O)	124.7700	0.000	1	124.7700	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	125.9390	0.000	1	125.9390	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.4610	0.000	1	125.1705	0.169	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	124.8800	0.000	1	125.1705	0.169	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	125.8980	0.000	1	125.8980	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(COO){2|C<3>}	O(CC[6a]O)	122.0980	0.000	1	122.0980	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.7290	0.000	1	124.7290	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(COO){4|C<3>}	O(CC[6a]O)	122.4350	0.488	2	122.4350	0.238	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(COO){3|C<3>}	O(CC[6a]O)	122.8345	0.081	2	122.8345	0.007	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.2935	0.278	6	123.7779	0.735	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	124.2080	0.000	1	123.7779	0.735	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	122.6033	0.392	3	123.7779	0.735	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.4530	0.000	1	124.1900	0.543	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(COO){3|C<3>}	O(CC[6a]O)	124.0585	0.991	2	124.1900	0.543	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO){3|C<3>}	O(CC[6a]O)	123.7310	0.000	1	123.7310	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.7224	1.378	11	124.7920	1.938	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.7013	0.323	4	124.7920	1.938	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	126.2480	0.000	1	124.7920	1.938	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){2|C<3>}	O(CC[6a]O)	124.2863	2.148	3	124.7920	1.938	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){3|C<3>}	O(CC[6a]O)	123.3875	0.199	2	124.7920	1.938	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.8077	0.374	3	125.8077	0.140	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	121.7410	0.000	1	121.7410	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.1220	1.734	3	123.2403	2.061	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO){2|C<3>}	O(CC[6a]O)	123.5950	0.000	1	123.2403	2.061	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(COO){2|C<3>}	O(CC[6a]O)	123.8250	0.000	1	123.8250	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]N)(COO){2|C<3>}	O(CC[6a]O)	124.8470	0.000	1	124.8470	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]S)(COO){2|C<3>}	O(CC[6a]O)	125.6910	0.000	1	125.6910	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]C)(COO){3|C<3>}	O(CC[6a]O)	122.4730	0.000	1	122.4730	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){1|C<4>,4|C<3>}	O(CC[6a]O)	123.9490	0.000	1	123.6166	0.677	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	124.2680	0.963	2	123.6166	0.677	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	123.3230	0.624	3	123.6166	0.677	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){1|N<2>,4|C<3>}	O(CC[6a]O)	124.9580	0.000	1	123.6166	0.677	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){1|N<3>,4|C<3>}	O(CC[6a]O)	123.1225	0.768	4	123.6166	0.677	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){2|N<3>,3|C<3>}	O(CC[6a]O)	123.6500	0.000	1	123.6166	0.677	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){5|C<3>}	O(CC[6a]O)	123.5782	0.946	4	123.6166	0.677	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|C<2>,1|H<1>,3|C<3>}	O(CC[6a]O)	122.2510	0.000	1	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	123.7938	1.391	10	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]O)	124.1310	0.000	1	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	124.9508	1.176	6	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	124.2526	0.705	7	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	125.9110	0.000	1	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.9263	0.925	29	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|O<2>,3|C<3>}	O(CC[6a]O)	124.8678	0.493	4	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){5|C<3>}	O(CC[6a]O)	124.5147	1.266	3	124.6061	1.215	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.9450	0.000	1	124.9450	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){1|Cl<1>,1|H<1>,3|C<3>}	O(CC[6a]O)	123.0610	0.000	1	123.2032	0.321	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	122.2710	0.000	1	123.2032	0.321	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	123.2428	0.547	6	123.2032	0.321	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){5|C<3>}	O(CC[6a]O)	123.6215	0.388	2	123.2032	0.321	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|C<2>,1|H<1>,3|C<3>}	O(CC[6a]O)	123.4080	0.000	1	124.2625	0.948	22	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|C<2>,3|C<3>}	O(CC[6a]O)	123.4310	1.313	3	124.2625	0.948	22	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	125.5680	0.000	1	124.2625	0.948	22	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|N<3>,3|C<3>}	O(CC[6a]O)	123.0220	0.000	1	124.2625	0.948	22	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	125.5415	0.052	2	124.2625	0.948	22	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){4|C<3>}	O(CC[6a]O)	124.3143	0.740	14	124.2625	0.948	22	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(COO){1|C<2>,3|C<3>}	O(CC[6a]O)	123.4270	0.092	2	123.9177	0.726	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	124.8990	0.000	1	123.9177	0.726	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	124.9720	0.000	1	124.9720	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]O[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]O[6a]C)(COO){4|C<3>}	O(CC[6a]O)	124.6570	0.000	1	124.6570	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]O[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)(C[6a]O[6a]O)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	124.3267	0.847	3	124.3267	0.718	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]2)2(COO){7|C<3>}	O(CC[6a]O)	124.1940	0.000	1	124.1940	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.2630	0.851	2	124.2630	0.725	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,3|O<2>}	O(CC[6a]O)	125.1100	0.000	1	125.1100	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,2|O<2>}	O(CC[6a]O)	122.7270	0.000	1	122.7270	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(COO){1|Br<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	122.9310	0.000	1	122.9310	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.8570	0.000	1	123.5263	0.806	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	123.3361	0.776	7	123.5263	0.806	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	125.0940	0.000	1	124.4963	3.535	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	127.8400	0.000	1	124.4963	3.535	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.0225	1.961	2	124.4963	3.535	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.4590	2.152	2	124.4963	3.535	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.0365	0.127	2	124.4963	3.535	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|O<2>}	O(CC[6a]O)	123.6751	0.990	7	123.6751	0.979	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	121.8930	0.000	1	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.0007	0.886	62	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	125.3423	0.827	7	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<2>}	O(CC[6a]O)	123.6155	0.398	2	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	125.4688	1.710	5	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	124.5860	0.000	1	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|N<2>,1|N<3>}	O(CC[6a]O)	123.3470	0.000	1	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|N<3>,1|O<1>}	O(CC[6a]O)	123.9880	0.000	1	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.5915	1.052	64	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	125.5010	0.000	1	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	125.0501	1.289	7	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.8845	0.477	11	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,1|O<1>}	O(CC[6a]O)	124.1490	0.000	1	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.4871	1.162	16	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|N<2>,1|N<3>,1|O<2>}	O(CC[6a]O)	123.3275	0.452	2	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|N<2>,1|N<3>,1|S<2>}	O(CC[6a]O)	124.9260	1.008	2	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	123.4980	0.000	1	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.9800	0.516	2	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|S<2>,2|N<2>}	O(CC[6a]O)	123.6580	0.000	1	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	123.1170	0.566	2	124.3425	1.140	190	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	124.6010	0.000	1	125.0723	0.337	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.8950	0.000	1	125.0723	0.337	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){3|C<3>}	O(CC[6a]O)	125.7210	0.000	1	125.0723	0.337	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|Br<1>,1|Se<2>,1|N<2>}	O(CC[6a]O)	121.8728	2.823	6	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	123.9710	0.398	3	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	123.9900	0.000	1	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	125.0410	0.000	1	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.2931	0.754	32	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.7473	0.586	6	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.6600	0.721	6	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|Cl<1>,2|C<3>}	O(CC[6a]O)	123.4780	0.137	2	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.3820	0.157	2	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){3|C<3>}	O(CC[6a]O)	124.1393	1.261	3	123.2604	1.445	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	124.3000	0.523	2	123.7328	0.305	40	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	123.7029	0.544	38	123.7328	0.305	40	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	123.6010	0.000	1	124.0883	0.502	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	124.9010	0.000	1	124.0883	0.502	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO){2|C<3>}	O(CC[6a]O)	123.7630	0.000	1	124.0883	0.502	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	125.0420	0.000	1	125.0420	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	122.9165	2.136	2	122.9165	4.563	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	124.1160	1.526	3	124.1160	2.328	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	123.1283	2.213	3	123.7727	1.520	43	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	125.2420	0.635	2	123.7727	1.520	43	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	123.4094	1.048	5	123.7727	1.520	43	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	124.6690	0.000	1	123.7727	1.520	43	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.6764	1.828	5	123.7727	1.520	43	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.1883	0.881	3	123.7727	1.520	43	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.0410	0.605	4	123.7727	1.520	43	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C)2(COO){3|C<3>}	O(CC[6a]O)	123.6264	1.000	20	123.7727	1.520	43	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(CC[6a]O)	122.0900	0.000	1	122.0900	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(COO){1|Fe<10>,1|C<3>,4|C<4>}	O(CC[6a]O)	126.3650	0.000	1	126.3650	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]O)	125.7340	0.000	1	125.5435	0.073	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,3|H<1>}	O(CC[6a]O)	125.3530	0.000	1	125.5435	0.073	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(CC[6a]O)	124.2360	0.000	1	124.2360	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<2>,2|H<1>,3|C<3>}	O(CC[6a]O)	123.0620	0.000	1	124.7881	1.245	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,1|O<2>,3|C<3>}	O(CC[6a]O)	124.0350	0.000	1	124.7881	1.245	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]O)	126.1520	0.146	2	124.7881	1.245	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|C<3>,3|O<2>}	O(CC[6a]O)	123.6960	0.000	1	124.7881	1.245	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.8935	0.954	8	124.7881	1.245	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>,3|O<2>}	O(CC[6a]O)	123.9610	0.000	1	123.9610	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(COO){4|C<3>}	O(CC[6a]O)	124.2675	1.360	2	124.2675	1.849	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO){1|Cl<1>,2|C<3>}	O(CC[6a]O)	123.5260	0.853	2	123.2353	0.766	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	123.1383	0.939	6	123.2353	0.766	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	126.7990	0.000	1	125.6848	3.431	23	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	121.5310	1.177	2	125.6848	3.431	23	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.2341	1.108	19	125.6848	3.431	23	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.4410	0.000	1	125.6848	3.431	23	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	126.0195	0.532	2	126.0195	0.284	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Cl)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.5950	0.521	3	123.5950	0.271	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	121.8860	0.000	1	123.3586	2.497	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	122.5950	0.192	2	123.3586	2.497	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.8585	1.455	2	123.3586	2.497	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	123.3431	0.787	13	123.4375	0.630	15	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]F)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.0515	0.715	2	123.4375	0.630	15	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.9354	1.829	10	123.9354	3.345	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.8645	2.029	4	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,2|C<3>}	O(CC[6a]O)	122.9395	0.305	2	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	125.2050	0.730	2	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	126.3130	0.000	1	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.6618	0.957	12	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	125.0212	0.875	9	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	125.7360	0.148	3	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.9595	1.162	91	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.4354	0.677	5	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	126.0320	1.423	4	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,1|N<2>,1|N<3>}	O(CC[6a]O)	124.3105	0.917	2	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.2903	0.157	3	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	124.9860	0.000	1	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){3|C<3>}	O(CC[6a]O)	124.3330	1.223	2	124.9373	1.300	141	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	125.2604	1.921	11	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|N<3>}	O(CC[6a]O)	121.9230	0.000	2	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	127.5772	0.524	4	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	122.1840	0.000	1	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	122.3290	0.000	1	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.5645	1.386	17	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	123.3299	0.903	9	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	122.6510	0.000	1	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]O)	125.3363	1.535	4	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.4724	1.457	41	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	122.9430	0.566	3	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	126.3900	0.000	1	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	127.2807	0.630	4	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.0011	1.830	9	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Ir<6>,2|C<3>}	O(CC[6a]O)	124.0895	2.979	4	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){3|C<3>}	O(CC[6a]O)	123.2065	0.348	4	124.5689	3.127	116	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.9043	0.492	3	122.9043	0.242	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.8870	0.000	1	125.2107	1.156	20	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.2277	1.102	19	125.2107	1.156	20	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<2>,1|C<3>}	O(CC[6a]O)	124.3480	0.000	1	124.1296	1.590	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	123.9480	0.000	1	124.1296	1.590	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|N<2>}	O(CC[6a]O)	122.6110	0.000	1	124.1296	1.590	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.2260	0.000	1	124.1296	1.590	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	125.3303	0.610	3	124.1296	1.590	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){3|C<3>}	O(CC[6a]O)	123.9130	0.000	1	124.1296	1.590	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	124.2559	0.648	28	124.1705	0.399	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|O<2>}	O(CC[6a]O)	123.5220	0.000	1	124.1705	0.399	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|S<4>}	O(CC[6a]O)	122.8720	0.000	1	124.1705	0.399	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.6630	0.000	1	124.1705	0.399	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){2|C<3>}	O(CC[6a]O)	124.0852	0.490	11	124.1705	0.399	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	125.9037	0.621	3	124.6554	1.431	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	O(CC[6a]O)	123.8278	1.026	4	124.6554	1.431	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	O(CC[6a]O)	124.4385	0.101	2	124.6554	1.431	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	126.9850	0.314	3	126.3494	0.901	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	125.8300	0.000	1	126.3494	0.901	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){3|C<3>}	O(CC[6a]O)	124.9620	0.000	1	126.3494	0.901	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	124.4423	0.531	3	124.4423	0.282	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|B<3>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.2060	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|B<3>,2|C<3>}	O(CC[6a]O)	124.9970	0.148	2	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.3682	0.572	5	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.4462	0.559	22	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<2>,1|C<3>,1|O<2>}	O(CC[6a]O)	123.4450	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<2>,2|C<3>}	O(CC[6a]O)	123.9942	0.658	16	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.6577	0.710	22	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]O)	123.8990	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	124.9590	1.310	2	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	124.3439	0.747	7	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	123.8705	0.581	10	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.0546	0.803	51	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<4>}	O(CC[6a]O)	122.9480	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	124.5376	1.035	27	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]O)	124.3640	0.363	2	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<3>}	O(CC[6a]O)	123.8300	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]O)	124.3980	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<2>}	O(CC[6a]O)	123.4425	0.371	4	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	124.8047	0.269	11	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.4678	0.867	1213	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	123.2592	0.775	108	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	124.4701	0.703	59	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.5419	0.629	16	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.6293	0.736	7	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.2485	0.656	37	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|I<1>,2|C<3>}	O(CC[6a]O)	124.6500	0.974	2	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Ir<8>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.3910	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|C<3>}	O(CC[6a]O)	123.8556	0.859	7	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	124.2935	0.916	22	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|N<3>}	O(CC[6a]O)	123.5480	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	124.0988	0.955	38	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	124.0476	0.584	36	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Rh<8>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.9170	0.000	1	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Ru<6>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.6380	0.307	2	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	124.1043	0.596	3	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	124.6135	0.482	2	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	123.9732	1.067	62	124.3348	0.805	1804	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]I)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]I)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	124.4815	0.924	8	124.4815	0.854	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	123.7460	0.000	1	123.7460	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO){1|C<2>,1|C<3>}	O(CC[6a]O)	124.1360	0.560	2	124.1360	0.314	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.7513	0.884	10	124.7467	0.641	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.7235	0.144	2	124.7467	0.641	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(CC[6a]O)	124.1305	0.199	2	124.1305	0.039	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]O)	123.6295	0.401	2	124.1455	1.443	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	124.1937	1.692	3	124.1455	1.443	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	125.0330	0.000	1	124.1455	1.443	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]O)	123.1530	0.539	2	122.9903	0.559	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	122.8275	1.132	2	122.9903	0.559	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(COO){1|C<4>,3|C<3>}	O(CC[6a]O)	123.7620	0.000	1	123.7620	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)(COO){1|C<4>,3|C<3>}	O(CC[6a]O)	124.5150	0.000	1	124.5150	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(COO){4|C<3>}	O(CC[6a]O)	123.8680	0.190	3	123.8680	0.036	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(COO){4|C<3>}	O(CC[6a]O)	123.6040	0.000	1	123.6040	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO){1|F<1>,5|C<3>}	O(CC[6a]O)	124.0900	0.000	1	124.9540	1.493	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO){6|C<3>}	O(CC[6a]O)	125.8180	0.000	1	124.9540	1.493	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(COO){4|C<3>}	O(CC[6a]O)	125.3400	0.000	1	125.3400	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]O)	124.3303	1.181	6	124.1300	1.443	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|N<2>,3|C<3>}	O(CC[6a]O)	122.9280	0.000	1	124.1300	1.443	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(COO){1|S<2>,3|C<3>}	O(CC[6a]O)	123.9850	0.160	2	123.9850	0.026	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(COO){1|N<2>,3|C<3>}	O(CC[6a]O)	124.8750	0.000	1	124.8750	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(COO){3|C<3>}	O(CC[6a]O)	125.7385	0.035	2	125.7385	0.001	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(COO){3|C<3>}	O(CC[6a]O)	124.9360	0.000	1	124.9360	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO){1|C<3>,1|C<4>}	O(CC[6a]O)	122.1030	0.000	1	123.7760	1.682	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.3337	0.811	3	123.7760	1.682	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	122.4990	0.376	2	122.4990	0.142	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]S)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	123.7760	0.000	1	123.7760	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	125.2330	0.000	1	123.9486	2.647	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	122.1395	0.021	2	123.9486	2.647	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	125.5975	0.336	2	123.9486	2.647	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.6342	1.085	6	123.9486	2.647	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	122.9332	1.739	5	123.9486	2.647	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(COO){4|C<3>}	O(CC[6a]O)	124.5920	0.000	1	124.5920	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(COO){1|H<1>,5|C<3>}	O(CC[6a]O)	122.3710	0.000	1	122.3710	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	126.1390	0.000	1	126.1390	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.3310	0.000	1	124.3310	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.8760	0.000	1	124.0560	1.088	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	124.6460	0.294	2	124.0560	1.088	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	O(CC[6a]O)	125.8000	0.000	1	125.8000	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	O(CC[6a]O)	123.5210	0.000	1	123.5210	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.8020	0.000	1	124.8020	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(COO){2|C<3>}	O(CC[6a]O)	125.1410	0.000	1	125.1410	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(COO){1|C<3>,1|O<2>}	O(CC[6a]O)	123.5103	2.447	6	123.5103	5.988	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(COO){1|C<3>}	O(CC[6a]O)	122.6970	0.000	1	122.6970	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>}	O(CC[6a]O)	121.6590	0.208	2	121.6590	0.043	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(COO){1|C<3>}	O(CC[6a]O)	125.9880	0.000	1	125.9880	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	123.9665	1.381	2	123.9665	1.907	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]N)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	C[6a](C[6a]N[6a]N)2(COO){1|C<3>}	O(CC[6a]O)	124.7850	0.000	1	124.7850	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[3,5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[3,5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.0020	0.245	2	124.0020	0.060	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[3])(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[3])(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	125.3220	0.290	2	125.3220	0.084	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[3])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[3])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.2535	0.610	2	124.2535	0.372	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[3x5,6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[3x5,6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.9240	0.000	1	122.9240	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[4])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.3735	0.262	2	125.3735	0.069	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[4])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.4780	0.000	1	124.4780	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[4])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.5794	0.527	19	124.5338	0.305	20	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[4])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	123.6670	0.000	1	124.5338	0.305	20	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5,5,6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,5,6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.6200	0.000	1	125.6200	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5,5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.4078	0.534	6	124.1847	0.586	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5,5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	122.8460	0.000	1	124.1847	0.586	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5,6,6])(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6,6])(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.8435	0.123	4	125.8435	0.015	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5,6,6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6,6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.9600	0.000	2	125.9600	0.000	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.1810	0.000	1	122.1810	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.8626	0.982	14	124.7626	0.943	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	124.0630	0.697	2	124.7626	0.943	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	123.7090	0.000	1	123.7090	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.9260	0.000	1	124.9260	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.3219	0.481	7	126.3219	0.231	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.1200	3.075	4	125.1200	9.456	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.2780	0.000	1	126.2780	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	123.5170	0.000	1	123.5170	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	125.8090	0.000	1	125.8090	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.5600	0.842	148	124.4899	0.782	162	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	123.1940	0.729	9	124.4899	0.782	162	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	124.8990	0.663	2	124.4899	0.782	162	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.9490	0.305	2	124.4899	0.782	162	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	C[6a](C[6a]C[6a]H)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	124.0440	0.000	1	124.4899	0.782	162	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5a])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5a])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	128.1010	1.585	3	128.1010	2.511	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.2240	0.000	1	122.2240	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[5a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.5582	0.775	15	126.5582	0.601	15	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.8450	0.000	1	123.8450	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.9383	1.472	6	122.9383	2.168	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	123.3512	0.674	4	124.9747	0.606	73	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.1237	0.604	67	124.9747	0.606	73	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	123.2290	0.267	2	124.9747	0.606	73	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.0000	0.000	1	124.0000	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO){2|C<3>}	O(CC[6a]O)	124.8835	0.896	2	124.8835	0.803	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	122.6255	0.187	2	122.6255	0.035	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	123.2630	0.000	1	123.2630	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.4510	0.191	2	124.4510	0.036	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.2720	1.187	3	123.2720	1.410	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	124.5740	0.331	2	124.5740	0.110	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.6470	0.000	1	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.9430	0.000	1	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	123.7187	0.366	3	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	125.2870	0.533	2	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	124.3680	0.000	1	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	123.6030	0.238	2	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.4750	1.111	273	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	123.1417	1.171	28	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	125.1890	0.199	2	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.9370	0.110	3	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	123.0010	0.000	1	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	123.8170	0.000	1	124.3413	1.349	318	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	123.9225	2.449	2	123.9225	5.996	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]O)	122.5200	0.000	1	122.5200	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.6470	0.000	1	123.6470	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	124.7015	0.619	2	124.7015	0.383	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(COO){4|C<3>}	O(CC[6a]O)	125.7170	0.000	1	125.7170	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	124.7150	0.000	1	126.1178	0.707	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.3984	0.541	5	126.1178	0.707	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.2896	1.652	7	126.2896	2.730	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO){2|C<3>}	O(CC[6a]O)	126.6476	0.578	5	126.6476	0.334	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	125.2930	1.471	2	125.2930	2.163	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.7898	0.998	5	126.7898	0.996	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	127.0820	0.098	2	126.0753	0.936	18	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	126.4705	0.490	2	126.0753	0.936	18	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	126.5070	0.000	1	126.0753	0.936	18	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.8698	1.004	11	126.0753	0.936	18	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	126.6170	0.000	1	126.0753	0.936	18	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	124.5580	0.000	1	126.0753	0.936	18	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	123.4250	0.000	1	123.6352	0.341	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.2210	0.000	1	123.6352	0.341	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.9790	0.000	1	123.6352	0.341	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	122.9160	0.000	1	123.6352	0.341	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	125.6490	0.000	1	126.4228	4.956	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.6807	2.652	3	126.4228	4.956	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.1110	0.000	1	123.1110	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.2450	0.170	2	126.2450	0.029	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.1837	1.187	6	125.1837	1.408	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	124.5223	2.101	3	125.1892	2.984	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.1390	0.000	1	125.1892	2.984	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	124.7920	0.030	2	125.1892	2.984	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.0595	1.886	6	125.1892	2.984	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.8130	0.000	1	125.1892	2.984	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	125.3124	0.837	5	125.3124	0.701	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	126.9660	0.000	1	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]O)	124.7250	0.000	1	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	125.5425	1.212	11	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.4045	0.343	2	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	124.6900	0.000	1	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	125.9050	0.000	1	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.5008	0.903	210	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	124.2235	0.780	2	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	124.6470	0.335	2	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	125.6993	1.060	3	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	127.3365	2.238	2	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	124.4519	0.790	15	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	125.1159	0.843	11	125.4191	0.931	262	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.1450	0.000	1	124.1450	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(COO){1|Cl<1>,1|H<1>,3|C<3>}	O(CC[6a]O)	125.1890	0.000	1	125.1890	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>}	O(CC[6a]O)	125.7480	0.000	1	125.7480	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	118.7110	0.000	1	118.7110	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]Br)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]Br)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	116.6920	0.000	1	116.6920	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.4320	0.000	1	117.4320	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.6570	0.000	1	118.6570	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,2|N<3>}	O(CC[6a]O)	118.5520	0.000	1	118.5520	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	117.8890	0.000	1	117.8890	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.4040	0.000	1	117.4040	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.8590	0.000	1	118.3947	1.015	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.6053	1.118	7	118.3947	1.015	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	117.3820	0.000	1	118.3947	1.015	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(O)	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.4690	0.000	1	118.3947	1.015	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	116.7620	0.000	1	117.9233	1.279	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|N<3>,4|C<3>}	O(CC[6a]O)	117.0065	1.340	2	117.9233	1.279	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	118.6720	0.451	4	117.9233	1.279	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.9400	0.000	1	118.9400	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]Br)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]Br)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	117.3810	0.000	1	117.3810	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	117.7975	1.695	2	117.7975	2.873	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	118.6105	0.581	2	118.1412	1.701	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.8722	0.801	4	118.1412	1.701	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.4973	1.509	6	118.1412	1.701	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.8460	0.000	1	117.8460	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0020	0.000	1	118.0020	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.8040	0.000	1	118.8040	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.2604	1.576	5	118.1779	1.676	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	118.0070	0.000	1	118.1779	1.676	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.9360	0.000	1	118.1779	1.676	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.6290	0.000	1	119.6290	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	117.4705	0.532	2	117.4705	0.284	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	118.0090	0.000	1	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	118.2135	0.018	2	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	119.5430	0.000	1	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.3948	1.173	39	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	117.2210	1.070	7	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	117.9210	0.000	1	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	120.0240	0.000	1	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|C<3>}	O(CC[6a]O)	118.3380	0.000	1	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|S<4>,2|C<3>}	O(CC[6a]O)	116.2390	0.000	1	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	118.7211	0.680	8	118.2938	1.333	62	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){4|C<3>}	O(CC[6a]O)	119.5140	0.000	1	119.5140	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCr)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCr)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	120.3280	0.000	1	119.0520	3.256	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCr)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCr)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	117.7760	0.000	1	119.0520	3.256	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCr)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCr)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.4660	0.257	3	120.4660	0.066	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	119.5310	1.389	2	119.5310	1.929	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){2|C<3>}	O(CC[6a]O)	118.4810	0.000	1	118.4810	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	116.7270	0.000	1	116.7270	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	118.3445	0.660	2	118.3445	0.435	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	119.7970	0.000	1	119.7970	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.7183	0.720	3	118.8602	4.966	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	117.5730	3.647	2	118.8602	4.966	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.3710	0.000	1	122.3710	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,2|N<3>}	O(CC[6a]O)	116.4120	0.000	1	116.4120	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.1750	0.000	1	117.1750	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	119.4510	0.147	2	118.4513	0.676	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0770	0.000	1	118.4513	0.676	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	118.1825	0.944	2	118.4513	0.676	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.5870	0.716	2	118.4513	0.676	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	118.8140	0.000	1	118.4513	0.676	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	118.7300	0.000	1	118.4513	0.676	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	119.5685	1.865	2	119.4575	1.335	34	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.3335	1.107	25	119.4575	1.335	34	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	119.0840	0.000	1	119.4575	1.335	34	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	120.6545	0.960	4	119.4575	1.335	34	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	118.0010	0.000	1	119.4575	1.335	34	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]H)2(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	119.3780	0.000	1	119.4575	1.335	34	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]I)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(O)	C[6a](C[6a]C[6a]I)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	119.6170	0.000	1	119.6170	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OD)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OD)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	121.3829	0.818	11	121.3829	0.670	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OEu)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OEu)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.5290	0.000	1	120.5290	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	119.4450	0.000	1	119.4450	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]2)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]2)2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	120.3244	0.827	8	120.3244	0.684	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.1780	0.000	1	117.1780	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.3390	0.229	6	119.3390	0.053	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.9497	2.289	3	117.9497	5.240	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0230	0.000	1	118.0230	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.5457	1.602	11	119.5577	2.335	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	119.6890	0.000	1	119.5577	2.335	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OGa)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OGa)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.6400	0.000	2	124.6400	0.000	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OGa)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OGa)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.3030	0.000	1	121.3030	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OGa[4x6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OGa[4x6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.3110	0.000	1	121.3110	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OGe[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OGe[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.8880	0.000	1	121.8880	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	122.7505	0.354	4	122.3283	0.537	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.4840	0.413	2	122.3283	0.537	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	122.3170	1.601	7	121.9419	2.585	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	119.4780	0.000	1	121.9419	2.585	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.2120	0.829	3	121.9419	2.585	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|N<3>,1|O<1>,1|S<2>}	O(CC[6a]O)	122.3684	0.799	7	121.9419	2.585	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	120.1380	0.461	2	121.9419	2.585	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|Si<4>,1|C<3>,1|H<1>}	O(CC[6a]O)	118.5910	0.000	1	121.9419	2.585	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	121.5960	0.000	1	121.5960	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.6310	0.000	1	123.6310	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	O(CC[6a]O)	122.7020	0.000	1	122.7020	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(COO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]O)	121.3982	1.366	8	121.3982	1.867	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]O)	121.0900	0.000	1	121.2190	4.929	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	123.5597	0.790	3	121.2190	4.929	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	118.9213	0.694	3	121.2190	4.929	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]O)	121.2190	0.000	1	121.2190	4.929	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(CC[6a]O)	124.0490	0.000	1	121.7055	10.984	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	119.3620	0.000	1	121.7055	10.984	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(CC[6a]O)	122.3855	1.596	2	122.3855	2.547	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.7500	0.000	1	124.7500	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	123.2020	0.000	1	121.4845	5.900	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(COO){1|Si<4>,1|C<3>,1|H<1>}	O(CC[6a]O)	119.7670	0.000	1	121.4845	5.900	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	122.8706	0.298	5	122.8706	0.089	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	122.7960	0.000	1	122.7960	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	122.4215	0.121	2	122.4215	0.015	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.6100	0.000	1	124.6100	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	O(CC[6a]O)	120.5150	0.000	1	120.5150	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	122.6155	1.771	10	122.6155	3.137	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.5947	0.610	3	122.5947	0.372	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.7383	1.109	23	122.7452	1.130	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	121.9570	0.000	1	122.7452	1.130	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){3|C<3>}	O(CC[6a]O)	123.2185	0.336	2	122.7452	1.130	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	122.2024	0.724	21	122.0911	0.700	35	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.7749	0.984	12	122.0911	0.700	35	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){3|C<3>}	O(CC[6a]O)	122.8185	0.383	2	122.0911	0.700	35	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO){2|C<3>}	O(CC[6a]O)	124.6860	0.000	1	124.6860	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO){2|C<3>}	O(CC[6a]O)	122.0864	1.048	11	122.0864	1.098	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.0400	0.000	1	124.0400	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.6375	0.746	8	122.9965	1.407	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	123.9540	1.788	3	122.9965	1.407	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.4929	0.922	13	123.5254	0.800	14	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6,6a]H)(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	123.9480	0.000	1	123.5254	0.800	14	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	123.5301	0.623	88	123.5301	0.389	88	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	120.7100	0.000	1	120.7100	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(COO){2|C<3>}	O(CC[6a]O)	123.1810	0.000	1	123.1810	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	122.0360	0.000	1	122.0360	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	122.7826	1.294	5	122.7616	2.043	63	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	120.2950	0.000	1	122.7616	2.043	63	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	122.9551	1.595	24	122.7616	2.043	63	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	123.8260	0.000	1	122.7616	2.043	63	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|C<4>,3|C<3>}	O(CC[6a]O)	122.3887	0.539	3	122.7616	2.043	63	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	122.6267	1.421	26	122.7616	2.043	63	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){5|C<3>}	O(CC[6a]O)	123.1883	0.645	3	122.7616	2.043	63	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	122.6860	1.694	5	122.6860	2.869	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]2)2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	123.9338	0.574	4	123.9338	0.330	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	123.1580	0.632	2	123.1580	0.400	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.7660	1.454	4	123.2950	1.957	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|Br<1>,2|C<3>}	O(CC[6a]O)	121.8405	2.314	2	123.2950	1.957	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.1880	0.251	4	123.2950	1.957	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	124.0215	0.226	2	123.2950	1.957	12	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	119.9310	0.000	1	119.9310	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	121.8331	0.704	8	121.3357	1.345	30	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Br)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	121.1548	1.251	22	121.3357	1.345	30	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	120.9810	0.000	1	120.1495	1.383	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.3180	0.000	1	120.1495	1.383	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	121.8840	0.000	1	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	124.3007	1.982	3	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	122.8500	0.000	1	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	121.7645	0.531	2	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	121.8759	1.683	30	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	121.4950	3.400	8	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	122.0110	2.161	2	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.8871	2.034	195	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	122.9290	0.000	1	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	119.9448	1.530	32	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.1371	1.748	271	121.4116	3.756	546	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.9196	2.486	9	121.9196	6.182	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	122.5695	0.421	2	121.6165	1.865	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	121.6080	0.000	1	121.6165	1.865	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.3454	1.543	7	121.6165	1.865	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.5770	0.000	1	123.5770	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	122.9950	0.000	1	122.9950	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	122.8037	0.567	3	121.5995	2.602	29	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.1683	1.398	11	121.5995	2.602	29	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)2(COO){3|C<3>}	O(CC[6a]O)	121.6749	1.816	15	121.5995	2.602	29	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	O(CC[6a]O)	124.4820	0.462	2	124.4820	0.214	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]O)	124.9650	0.000	1	123.2796	3.491	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	123.4780	0.000	1	123.2796	3.491	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	122.9028	2.083	5	123.2796	3.491	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(COO){1|H<1>,3|C<3>}	O(CC[6a]O)	121.6830	0.277	2	121.6830	0.077	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	121.3622	2.272	18	121.3622	5.162	18	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.1220	0.000	1	121.1220	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]O)	123.6860	0.000	1	123.0994	2.160	45	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	121.5080	0.000	1	123.0994	2.160	45	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	123.7185	0.788	4	123.0994	2.160	45	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.0245	1.648	32	123.0994	2.160	45	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.3423	1.041	4	123.0994	2.160	45	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	123.0840	0.660	3	123.0994	2.160	45	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.7105	1.339	2	118.7105	1.792	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	120.9017	0.103	3	120.9017	0.011	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.3766	2.673	5	120.2206	7.186	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	121.3110	0.000	1	120.2206	7.186	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Cl)2(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	123.3500	0.000	1	120.2206	7.186	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	121.5731	1.968	14	121.2190	3.264	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	121.7100	0.000	1	121.2190	3.264	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	120.9310	0.000	1	121.2190	3.264	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.3187	1.546	4	121.2190	3.264	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|F<1>}	O(CC[6a]O)	119.6600	0.000	1	121.2190	3.264	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.0750	0.000	1	123.0750	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	121.0360	1.650	62	121.0073	2.772	68	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.7115	1.949	6	121.0073	2.772	68	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.6962	3.210	4	121.1324	8.678	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|I<1>}	O(CC[6a]O)	122.8770	0.000	1	121.1324	8.678	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.8460	0.000	1	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,2|C<3>}	O(CC[6a]O)	117.2420	0.075	2	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	123.9537	0.214	3	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	123.5130	0.000	1	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	122.4043	1.779	12	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	122.1648	1.874	6	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]O)	119.7980	1.803	4	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	122.9143	0.672	17	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.5366	1.259	182	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	123.8930	0.000	1	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.1837	0.173	3	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.3200	0.000	1	123.2777	2.235	233	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|B<3>,1|C<3>,1|H<1>}	O(CC[6a]O)	119.0930	0.000	1	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	121.9888	0.885	10	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	121.6747	0.433	3	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	122.2434	0.694	5	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	121.6945	0.872	4	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	122.0894	1.020	14	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	121.8021	0.982	21	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|N<4>}	O(CC[6a]O)	122.6406	0.798	9	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	122.1302	1.490	63	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]O)	122.5130	0.192	2	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	122.6704	0.692	94	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	123.3110	0.614	2	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.3104	1.128	158	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|I<1>}	O(CC[6a]O)	122.9380	0.544	2	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	121.2788	0.729	4	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	122.5130	0.000	1	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.3357	0.834	12	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.9155	0.454	10	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Se<3>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.2880	0.000	1	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	122.1523	1.042	3	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	123.0510	0.000	1	122.3268	1.175	420	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO){1|C<3>,1|H<1>,1|P<4>}	O(CC[6a]O)	122.8030	0.000	1	122.6650	0.867	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.6478	0.994	8	122.6650	0.867	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	122.2995	0.278	2	122.7861	1.199	90	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.8158	1.097	87	122.7861	1.199	90	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.1730	0.000	1	122.7861	1.199	90	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	120.1367	1.682	6	120.1367	2.828	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|Br<1>,1|C<3>}	O(CC[6a]O)	122.0970	0.283	2	122.0132	3.634	25	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	120.7420	0.000	1	122.0132	3.634	25	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	119.8232	2.999	5	122.0132	3.634	25	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|O<2>}	O(CC[6a]O)	121.6390	0.000	1	122.0132	3.634	25	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.4043	0.628	8	122.0132	3.634	25	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.6380	0.000	1	122.0132	3.634	25	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){2|C<3>}	O(CC[6a]O)	122.1096	1.057	7	122.0132	3.634	25	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	123.6432	0.768	78	123.6432	0.591	78	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.2730	0.275	7	122.2730	0.076	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	122.7456	0.276	5	122.7456	0.076	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|B<3>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.7070	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.3400	1.219	3	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Br<1>,2|C<3>}	O(CC[6a]O)	122.5090	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.2578	1.255	5	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<2>,2|C<3>}	O(CC[6a]O)	122.6722	1.066	4	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	122.2969	2.021	29	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|N<2>}	O(CC[6a]O)	121.1560	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|S<4>}	O(CC[6a]O)	123.6290	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	122.3015	0.809	10	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	122.3760	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|I<2>}	O(CC[6a]O)	121.7860	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|I<3>}	O(CC[6a]O)	119.7377	0.687	3	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	121.9780	1.441	6	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	121.9376	1.634	117	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<4>}	O(CC[6a]O)	122.1191	2.847	33	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	122.5284	1.163	117	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<3>}	O(CC[6a]O)	120.0150	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|P<4>}	O(CC[6a]O)	121.7060	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]O)	120.8815	0.899	4	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	122.4796	1.552	5	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|N<3>,1|N<4>}	O(CC[6a]O)	123.0640	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]O)	120.1450	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	121.7283	2.026	21	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	121.1894	1.217	7	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.7784	1.874	1216	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|I<1>}	O(CC[6a]O)	122.0590	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	121.3100	1.170	71	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	121.5879	1.801	141	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<4>,1|H<1>,1|N<2>}	O(CC[6a]O)	122.1860	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	121.6792	2.154	10	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.6021	0.559	11	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<4>,1|N<2>}	O(CC[6a]O)	121.1510	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|F<1>,2|C<3>}	O(CC[6a]O)	121.6293	1.553	3	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	122.2230	1.441	115	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|I<1>,2|C<3>}	O(CC[6a]O)	122.2078	1.349	5	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Ir<6>,1|C<3>,1|H<1>}	O(CC[6a]O)	122.4500	0.375	2	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|C<3>}	O(CC[6a]O)	122.3953	1.676	7	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	122.2910	1.196	75	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<4>,2|C<3>}	O(CC[6a]O)	122.4257	1.114	8	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	122.3967	1.488	22	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Pt<4>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.9110	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){1|S<4>,2|C<3>}	O(CC[6a]O)	122.4339	1.365	11	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	121.2770	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){2|Br<1>,1|N<2>}	O(CC[6a]O)	123.2550	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	123.5755	0.303	2	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){2|Cl<1>,1|N<2>}	O(CC[6a]O)	122.8510	0.000	1	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	122.0935	1.769	263	121.9061	3.125	2343	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]I)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]I)2(COO){1|C<3>,2|I<1>}	O(CC[6a]O)	121.5410	0.754	2	122.1658	0.802	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]I)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]I)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	122.9630	0.000	2	122.1658	0.802	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]I)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]I)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	122.1274	0.935	9	122.1658	0.802	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.8780	0.000	1	123.8780	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	122.8400	0.000	1	122.8400	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]O)	123.9665	1.094	4	124.0147	1.493	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]O)	125.8080	0.000	1	124.0147	1.493	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	123.7480	1.240	6	124.0147	1.493	11	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]O)	123.3529	1.592	7	122.5177	4.984	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	120.5690	2.586	3	122.5177	4.984	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	124.6525	0.510	2	124.6525	0.260	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]O)	121.6120	0.000	1	123.3977	2.580	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]O)	124.7250	0.000	1	123.3977	2.580	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	123.8560	0.000	1	123.3977	2.580	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.6705	1.664	2	121.6705	2.768	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	123.5480	0.000	1	122.1574	0.882	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.0879	0.907	20	122.1574	0.882	21	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	125.0605	0.800	2	125.0605	0.640	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]S)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]S)2(COO){1|C<3>,2|S<2>}	O(CC[6a]O)	121.3330	1.438	2	121.3330	2.069	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.7230	0.000	1	122.7230	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.7990	0.000	1	121.7990	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Se)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]Se)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.5950	0.588	2	120.5950	0.346	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	O(CC[6a]O)	123.2095	0.364	2	123.2095	0.133	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	123.7390	0.000	1	123.7390	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	O(CC[6a]O)	118.5013	0.060	3	118.5013	0.004	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	124.6070	0.000	1	124.6070	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.3844	1.504	7	123.3844	2.261	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]N[6a]H)2(COO){1|C<3>}	O(CC[6a]O)	120.5080	0.000	1	120.5080	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,2|O<2>,3|C<3>}	O(CC[6a]O)	122.4040	1.327	2	122.4040	1.760	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Ir)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Ir)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.9715	0.964	2	121.9715	0.929	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.9955	0.542	2	118.9955	0.294	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.5960	0.835	3	119.5960	0.697	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.0820	1.588	5	123.6013	0.934	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.2104	0.412	5	123.6013	0.934	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	123.4733	0.561	4	123.6013	0.934	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COO){1|Ir<8>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.6325	0.554	2	123.6013	0.934	16	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OLi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OLi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.9330	0.000	1	117.9330	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.8450	0.000	1	121.8450	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.2800	0.564	2	117.2800	0.318	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.2361	1.117	8	118.2361	1.249	8	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|H<1>,1|N<2>}	O(CC[6a]O)	116.8810	0.000	1	116.8810	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	117.9265	0.235	2	118.2482	0.530	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	117.8220	0.000	1	118.2482	0.530	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	119.3180	0.000	1	118.2482	0.530	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]N)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMg)(O)	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.0925	0.967	2	119.0925	0.934	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.4810	0.000	1	121.4810	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	117.6560	0.000	1	117.6560	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]2)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]2)2(COO){2|H<1>,5|C<3>}	O(CC[6a]O)	119.3520	0.000	1	119.3520	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.1100	0.000	1	118.6685	0.390	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.2270	0.000	1	118.6685	0.390	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]O)	117.7180	0.000	1	118.0353	1.017	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	117.5550	0.000	1	118.0353	1.017	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	117.1615	1.446	2	118.0353	1.017	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.3027	1.054	6	118.0353	1.017	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.3490	0.995	3	118.0353	1.017	13	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]O)	118.6405	2.740	2	118.6405	7.508	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.0700	0.000	1	119.0700	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>,1|O<2>}	O(CC[6a]O)	118.6260	0.000	1	118.6260	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	116.9730	0.000	1	116.9730	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.3675	1.530	8	118.2502	2.172	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	117.3120	0.000	1	118.2502	2.172	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.9353	1.218	13	119.9039	1.383	14	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<4>,2|C<3>}	O(CC[6a]O)	119.4950	0.000	1	119.9039	1.383	14	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.4890	2.198	3	117.4890	4.833	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	120.8440	0.000	1	120.8440	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	118.0080	0.000	1	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	118.3335	1.849	2	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	118.3000	0.618	3	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	117.2020	0.000	1	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.2320	1.100	29	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	119.6330	0.000	1	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	121.1465	1.102	2	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	119.2240	0.000	1	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|S<4>,2|C<3>}	O(CC[6a]O)	117.4080	0.000	1	118.3918	1.499	41	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.7930	0.000	1	119.7930	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	118.7580	0.000	1	118.7580	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|Br<1>,1|C<3>}	O(CC[6a]O)	120.0660	0.000	1	120.0660	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.5247	1.057	6	120.1121	1.030	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	119.3603	0.680	3	120.1121	1.030	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	119.8920	0.000	1	120.1121	1.030	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]N[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OMo)(O)	C[6a](C[6a]N[6a]H)2(COO){1|C<3>}	O(CC[6a]O)	116.7020	5.842	2	116.7020	34.130	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	127.1530	0.000	1	127.1530	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	126.6470	0.000	1	126.6470	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	125.0170	0.000	1	125.0170	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.2100	0.000	1	125.2100	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.2670	0.000	1	123.2670	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	124.1400	0.000	1	124.1400	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]O)	125.8427	0.164	3	125.4223	1.056	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	124.1380	0.000	1	125.4223	1.056	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	124.6030	0.000	1	125.4223	1.056	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.6634	0.827	19	125.4223	1.056	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	123.5535	1.756	2	125.4223	1.056	26	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON[5])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON[5])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(COO){2|C<3>}	O(CC[6a]O)	127.5305	2.304	2	127.5305	5.311	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	127.1850	0.000	1	127.1850	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON[5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON[5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	127.8710	1.301	2	127.8710	1.693	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON[5a])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON[5a])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	128.7980	0.000	1	128.7980	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ON[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ON[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.9715	0.019	2	123.9715	0.000	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.0310	0.000	1	118.0310	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	119.4390	0.000	1	119.4390	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.3430	0.000	1	118.3430	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	118.1190	0.000	1	117.6550	0.660	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	117.4230	0.998	2	117.6550	0.660	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.2255	1.179	2	118.2255	1.389	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	115.1930	0.000	1	117.9403	1.150	23	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	118.0840	0.000	1	117.9403	1.150	23	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0692	0.847	10	117.9403	1.150	23	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.0599	1.046	11	117.9403	1.150	23	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.3270	0.624	2	118.3270	0.389	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0230	0.000	1	117.9156	1.683	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	117.8888	1.497	4	117.9156	1.683	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]O)	116.9260	0.000	1	118.9745	8.393	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.0230	0.000	1	118.9745	8.393	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.8875	1.305	2	118.8875	1.702	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	117.8120	0.000	1	117.8120	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	119.5085	1.225	2	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]O)	116.7830	0.000	1	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0737	0.855	23	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	117.8590	0.451	3	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	118.7645	0.128	2	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	118.8617	0.967	3	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	117.2762	0.488	5	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	117.2620	0.000	1	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	118.7090	0.000	1	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	120.6400	0.000	1	118.1471	0.979	42	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OO)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OO)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.6520	0.000	1	125.6520	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OOs)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OOs)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.5205	3.412	2	118.5205	11.640	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OP)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OP)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.3095	0.194	2	125.3095	0.038	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OP[5,5])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OP[5,5])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.0710	0.000	1	124.0710	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OP[6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OP[6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	125.2860	1.359	3	125.2860	1.846	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	118.5540	0.000	1	118.5540	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.8505	0.045	2	118.8505	0.002	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	118.9518	0.525	5	118.9518	0.275	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	121.4703	0.476	3	120.4885	4.007	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.5430	0.000	1	120.4885	4.007	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.0670	0.296	3	117.0670	0.088	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.2050	0.281	2	120.2050	0.079	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.0656	0.745	7	119.0656	0.554	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.7518	2.218	6	119.7518	4.919	6	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.6123	1.271	3	120.6123	1.614	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	116.8910	0.000	1	116.8910	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.3105	0.057	2	119.3105	0.003	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.1733	0.692	6	120.5489	1.638	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]H)2(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	119.6123	1.473	4	120.5489	1.638	10	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OPt)(O)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.5190	0.174	2	122.5190	0.030	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORe)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORe)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.8030	1.411	2	119.7153	1.019	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORe)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORe)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|O<2>}	O(CC[6a]O)	119.5400	0.000	1	119.7153	1.019	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORh)(O)	C[6a](C[6a]C[6a]O)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORh)(O)	C[6a](C[6a]C[6a]O)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.0190	0.000	1	119.0190	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORh)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORh)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(COO){1|Rh<8>,1|C<3>,1|H<1>}	O(CC[6a]O)	121.9660	0.000	1	121.9660	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	117.9922	0.634	4	117.9922	0.402	4	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.1675	0.442	2	121.1675	0.195	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.6123	1.244	3	117.6123	1.547	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.6700	0.481	2	117.6700	0.231	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.3119	1.320	7	119.3119	1.743	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ORu)(O)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.5380	0.000	1	122.5380	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	120.8110	1.389	2	120.8110	1.929	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>,1|O<2>}	O(CC[6a]O)	120.2600	0.000	1	120.2600	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.7990	0.000	1	122.7990	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.3380	1.259	3	122.3380	1.585	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSb)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	119.9093	4.027	3	119.9093	16.220	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSi)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSi)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	123.4895	0.216	2	123.4895	0.047	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Pt<4>,1|C<3>,1|H<1>}	O(CC[6a]O)	123.5450	0.000	1	123.5450	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSi[4x6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSi[4x6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|C<4>}	O(CC[6a]O)	122.2615	0.285	2	122.4903	0.198	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSi[4x6])(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSi[4x6])(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	122.9480	0.000	1	122.4903	0.198	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSi[5,5])(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSi[5,5])(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	124.1050	0.000	1	124.1050	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	120.3100	0.000	1	120.3100	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.0748	1.185	5	121.0748	1.404	5	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]C)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]C)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.0770	0.000	2	118.0770	0.000	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.8240	0.000	1	118.8240	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	119.1090	0.484	2	119.1090	0.234	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]F)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]F)2(COO){1|C<3>,2|F<1>}	O(CC[6a]O)	119.3470	0.000	1	119.3470	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	123.4040	1.151	2	123.4040	1.325	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	120.7250	0.156	2	121.0460	0.321	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	121.6880	0.000	1	121.0460	0.321	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	121.6810	0.000	1	121.6810	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|Br<1>,2|C<3>}	O(CC[6a]O)	120.2030	0.000	1	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]O)	118.7310	0.000	1	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]O)	120.2410	0.000	1	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	121.9580	0.858	3	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]O)	122.4640	0.000	1	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	121.0753	2.265	13	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	120.6977	0.685	3	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	120.8340	0.000	1	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){2|Br<1>,1|C<3>}	O(CC[6a]O)	121.9840	0.000	1	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){2|Cl<1>,1|C<3>}	O(CC[6a]O)	121.8260	0.000	1	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	121.0630	0.000	1	121.0849	2.964	27	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	119.4820	0.000	1	119.4820	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]N[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSn)(O)	C[6a](C[6a]N[6a]H)2(COO){1|C<3>}	O(CC[6a]O)	120.1420	0.000	1	120.1420	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSr)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSr)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	119.1350	0.000	1	119.1350	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OSr)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OSr)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<3>,2|C<3>}	O(CC[6a]O)	116.4640	0.000	1	116.4640	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OTi)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OTi)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	120.5985	0.688	2	120.5985	0.473	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OU)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OU)(O)	C[6a](C[6a]C[6a]H)2(COO){1|N<2>,2|H<1>}	O(CC[6a]O)	118.9150	0.000	1	118.9150	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OW)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OW)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.9270	0.000	1	119.9270	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	120.1280	0.000	1	120.1280	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	118.9810	0.000	1	118.9810	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a,6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a,6a]H)2(COO){3|C<3>}	O(CC[6a]O)	117.1135	0.032	2	117.1135	0.001	2	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	118.1140	0.000	1	118.1140	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.9910	0.000	1	118.9910	0.000	1	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.5063	1.000	7	118.5063	1.000	7	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.4530	0.579	3	118.4530	0.335	3	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.3392	1.018	5	118.8904	1.105	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]O)	118.3295	0.901	4	118.8904	1.105	9	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]O)	120.5260	0.000	1	119.4477	1.452	49	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]O)	119.9085	0.404	2	119.4477	1.452	49	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	119.4585	1.141	34	119.4477	1.452	49	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	118.4195	0.648	4	119.4477	1.452	49	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO){1|H<1>,2|C<3>}	O(CC[6a]O)	121.0705	0.564	2	119.4477	1.452	49	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(O)	C[6a](C[6a]C[6a]H)2(COO){3|C<3>}	O(CC[6a]O)	119.1978	1.646	6	119.4477	1.452	49	122.9593	4.712	9475	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(COO){1|O<1>,4|C<3>}	O(CC[6a]O)	122.8000	0.000	1	122.8000	0.000	1	120.7271	3.607	13	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(COO){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]O)	122.2090	0.000	1	122.2090	0.000	1	120.7271	3.607	13	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|O<1>}	O(CC[6a]O)	123.5710	0.027	2	123.5710	0.001	2	120.7271	3.607	13	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OCo)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OCo)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	119.2500	0.000	1	119.2500	0.000	1	120.7271	3.607	13	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]O)	121.0960	0.000	1	119.7564	1.556	8	120.7271	3.607	13	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	119.5650	1.214	7	119.7564	1.556	8	120.7271	3.607	13	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]N[5a,6a]C[6a])(OC)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO)	O(CC[6a]O)	C(C[6a]N[5a,6a]C[6a])(OC)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO){5|C<3>}	O(CC[6a]O)	123.2650	0.000	1	123.2650	0.000	1	123.2650	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]N[6,6a]C[6a])(OC)(O)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(COO)	O(CC[6a]O)	C(C[6a]N[6,6a]C[6a])(OC)(O)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(COO){1|H<1>,4|C<3>}	O(CC[6a]O)	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|O<1>,4|C<3>}	O(CC[6a]O)	122.9440	0.000	1	122.9440	0.000	1	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]B[6a]C)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]B[6a]C)(COO){1|O<2>,2|C<3>}	O(CC[6a]O)	122.6090	0.000	1	122.6090	0.000	1	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	O(CC[6a]O)	124.4850	0.000	1	124.4850	0.000	1	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OCo)(O)	C[6a](N[6a]C[6a]Co)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OCo)(O)	C[6a](N[6a]C[6a]Co)(C[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	120.7742	1.694	11	120.7742	2.868	11	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OCo)(O)	C[6a](N[6a]C[6a]Co)(C[6a]N[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OCo)(O)	C[6a](N[6a]C[6a]Co)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	O(CC[6a]O)	118.9650	0.000	1	118.9650	0.000	1	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	O(CC[6a]O)	121.0455	0.637	2	121.0455	0.406	2	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OMg)(O)	C[6a](N[6a]C[6a]Mg)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OMg)(O)	C[6a](N[6a]C[6a]Mg)(C[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	119.4670	0.000	1	119.4670	0.000	1	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OMn)(O)	C[6a](N[6a]C[6a]Mn)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OMn)(O)	C[6a](N[6a]C[6a]Mn)(C[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	118.7120	0.000	1	118.7120	0.000	1	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(ONi)(O)	C[6a](N[6a]C[6a]Ni)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(ONi)(O)	C[6a](N[6a]C[6a]Ni)(C[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	117.4540	0.711	3	117.4540	0.506	3	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OZn)(O)	C[6a](N[6a]C[6a]Zn)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OZn)(O)	C[6a](N[6a]C[6a]Zn)(C[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	118.8940	0.000	1	118.8940	0.000	1	120.3933	4.300	23	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(SC)(O)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COS)	O(CC[6a]S)	C(C[6a]C[6a,6a]C[6a])(SC)(O)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COS){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]S)	123.2510	0.000	1	123.2510	0.000	1	123.2510	0.000	1	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SAg)(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SAg)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	117.9780	0.000	1	117.9780	0.000	1	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]S)	125.9140	0.000	1	123.7081	2.651	7	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	123.8012	0.983	5	123.7081	2.651	7	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS){1|N<2>,2|H<1>}	O(CC[6a]S)	121.0370	0.000	1	123.7081	2.651	7	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC[5,5])(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SC[5,5])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	126.1120	0.000	1	126.1120	0.000	1	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC[5])(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SC[5])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	124.8155	1.043	6	124.8155	1.087	6	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC[5a])(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SC[5a])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	123.7780	1.249	4	123.7780	1.560	4	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC[6])(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SC[6])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	120.8240	0.000	1	120.8240	0.000	1	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC[6a])(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SC[6a])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	123.4668	0.902	5	123.4668	0.813	5	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SCu)(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SCu)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	118.9880	0.000	1	118.9880	0.000	1	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SIn)(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SIn)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	121.2073	0.220	4	121.2073	0.048	4	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	123.7520	0.000	1	123.7520	0.000	1	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SMo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SMo)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	119.7210	0.000	1	119.7210	0.000	1	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SPt)(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SPt)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	121.5070	0.000	1	121.5070	0.000	1	123.0608	4.320	33	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SeC[5])(O)	C[6a](C[6a]C[6a]C)2(CSeO)	O(CC[6a]Se)	C(C[6a]C[6a]2)(SeC[5])(O)	C[6a](C[6a]C[6a]C)2(CSeO){1|C<3>,2|C<4>}	O(CC[6a]Se)	124.9360	0.000	1	124.9360	0.000	1	123.6587	3.784	10	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SeC[6a])(O)	C[6a](C[6a]C[6a]C)2(CSeO)	O(CC[6a]Se)	C(C[6a]C[6a]2)(SeC[6a])(O)	C[6a](C[6a]C[6a]C)2(CSeO){1|C<3>,2|C<4>}	O(CC[6a]Se)	126.0233	0.486	3	126.0233	0.236	3	123.6587	3.784	10	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SeGe)(O)	C[6a](C[6a]C[6a]H)2(CSeO)	O(CC[6a]Se)	C(C[6a]C[6a]2)(SeGe)(O)	C[6a](C[6a]C[6a]H)2(CSeO){1|C<3>,2|H<1>}	O(CC[6a]Se)	123.5560	0.000	1	123.5560	0.000	1	123.6587	3.784	10	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SeSe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeO)	O(CC[6a]Se)	C(C[6a]C[6a]2)(SeSe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeO){1|C<3>,2|H<1>}	O(CC[6a]Se)	121.7447	0.213	4	121.7447	0.045	4	123.6587	3.784	10	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SeSn)(O)	C[6a](C[6a]C[6a]H)2(CSeO)	O(CC[6a]Se)	C(C[6a]C[6a]2)(SeSn)(O)	C[6a](C[6a]C[6a]H)2(CSeO){1|C<3>,2|H<1>}	O(CC[6a]Se)	123.0460	0.000	1	123.0460	0.000	1	123.6587	3.784	10	122.9360	4.840	10219	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O){2|C<3>}	O(CC[6a]2)	117.1650	0.000	1	117.1650	0.000	1	116.7025	0.428	2	117.8710	4.310	3	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a])2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a])2(CC[6a]O){1|C<3>,2|O<2>}	O(CC[6a]2)	116.2400	0.000	1	116.2400	0.000	1	116.7025	0.428	2	117.8710	4.310	3	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:2:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:N[6a]-2:C-3:	C-3:	C(C[6a]N[6a]2)(NHH)(O)	C[6a](N[6a]C[6a])2(CNO)	O(CC[6a]N)	C(C[6a]N[6a]2)(NHH)(O)	C[6a](N[6a]C[6a])2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	117.8710	4.310	3	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	S[6a]-2:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]S[6a])(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]S[6a])(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5a]O){5|B<6>}	O(CC[5a]C[6a])	120.6020	0.000	1	120.6020	0.000	1	120.6020	0.000	1	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]2)	118.4170	0.000	1	118.4170	0.000	1	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	O(CC[6a]2)	115.8910	0.000	1	115.8910	0.000	1	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,1|N<3>,1|O<1>}	O(CC[6a]2)	118.3980	0.000	2	118.4620	0.012	3	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	118.5900	0.000	1	118.4620	0.012	3	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	118.6533	0.420	3	118.6710	0.119	4	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	O(CC[6a]2)	118.7240	0.000	1	118.6710	0.119	4	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	O(CC[6a]2)	117.5620	0.000	1	117.5620	0.000	1	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	119.6920	0.000	1	119.6920	0.000	1	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	O(CC[6a]2)	116.1957	0.577	3	116.1957	0.333	3	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])2(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])2(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	O(CC[6a]2)	120.0445	0.062	2	120.0445	0.004	2	118.1442	1.931	16	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	O(CC[6a]2)	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	S[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[6a]O){5|B<6>}	O(CC[6a]2)	120.3440	0.000	1	120.3440	0.000	1	119.2220	2.518	2	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	S[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]O)(CC[6a]O){1|O<1>,2|C<3>}	O(CC[6a]2)	118.1000	0.000	1	118.1000	0.000	1	119.2220	2.518	2	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	O(CC[6a]N)	119.0470	0.000	1	119.0470	0.000	1	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.7766	0.857	13	120.7766	0.735	13	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO){2|C<3>}	O(CC[6a]N)	117.1980	0.000	1	117.1980	0.000	1	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.4950	0.000	1	121.4950	0.000	1	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.3990	0.000	1	121.4765	1.347	10	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	O(CC[6a]N)	121.4851	1.231	9	121.4765	1.347	10	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	119.3030	0.315	2	119.3030	0.099	2	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.0543	0.494	19	120.9524	1.686	42	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	O(CC[6a]N)	121.6300	0.000	1	120.9524	1.686	42	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	O(CC[6a]N)	120.8335	1.743	22	120.9524	1.686	42	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO){2|C<3>}	O(CC[6a]N)	121.8150	0.000	1	121.8150	0.000	1	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	O(CC[6a]N)	119.1320	0.000	1	119.1320	0.000	1	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	122.2520	0.000	1	122.2520	0.000	1	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	122.8880	0.000	1	122.8880	0.000	1	120.9094	1.728	74	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	O[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]O[6a])(NCH)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]O[6a])(NCH)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<1>,2|C<3>}	O(CC[6a]N)	119.2935	0.757	6	119.2935	0.572	6	119.2542	0.772	17	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	O[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]O[6a])(NC[6a]C)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]O[6a])(NC[6a]C)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<1>,2|C<3>}	O(CC[6a]N)	117.8890	0.000	1	117.8890	0.000	1	119.2542	0.772	17	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:O-1:	O[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<1>,2|C<3>}	O(CC[6a]N)	119.3672	0.912	10	119.3672	0.832	10	119.2542	0.772	17	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N[5]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|Cl<1>,2|C<3>}	O(CC[6a]N[5])	119.1770	0.379	2	119.1770	0.144	2	120.1852	1.404	4	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N[5]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]S[5])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]S[5])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|H<1>,2|C<3>}	O(CC[6a]N[5])	121.1935	0.037	2	121.1935	0.001	2	120.1852	1.404	4	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N[5]-3:O-1:	O[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]O[6a])(N[5]C[5]2)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]O[6a])(N[5]C[5]2)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|O<1>,2|C<3>}	O(CC[6a]N[5])	117.0980	0.000	1	117.0980	0.000	1	117.0980	0.000	1	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N[6]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|Cl<1>,2|C<3>}	O(CC[6a]N[6])	117.2345	0.441	2	117.2345	0.194	2	117.8187	1.121	3	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	2:3:3:	3:	C[6a]-3:N[6]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|H<1>,2|C<3>}	O(CC[6a]N[6])	118.9870	0.000	1	118.9870	0.000	1	117.8187	1.121	3	120.1080	2.805	119	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]N[6a])(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]N[6a])(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O){1|H<1>,4|C<3>}	O(CC[5a]C[6a])	117.0170	0.000	1	117.0170	0.000	1	117.0170	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	118.7130	0.000	1	118.7130	0.000	1	118.9690	0.813	3	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	118.2230	0.000	1	118.2230	0.000	1	118.9690	0.813	3	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.9710	0.000	1	119.9710	0.000	1	118.9690	0.813	3	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]C)	118.9660	0.000	1	118.9817	1.248	17	119.7740	4.022	21	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.9676	1.223	14	118.9817	1.248	17	119.7740	4.022	21	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.0880	0.690	2	118.9817	1.248	17	119.7740	4.022	21	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6]N)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6]N)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.4810	0.000	1	123.4810	0.000	1	119.7740	4.022	21	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	123.5860	0.000	1	123.5860	0.000	1	119.7740	4.022	21	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CNO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CNO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	124.1330	0.000	1	124.1330	0.000	1	119.7740	4.022	21	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CSeN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CSeN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.3650	0.000	1	121.3650	0.000	1	119.7740	4.022	21	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[5a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	O(CC[5a]C[6a])	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.3390	0.000	1	119.3390	0.000	1	119.3390	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|H<1>,2|C<3>}	O(CC[6a]C[6])	119.4575	0.682	4	119.4575	0.465	4	119.4575	0.465	4	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.6765	1.802	4	119.6765	3.248	4	119.6368	2.444	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	119.4780	0.000	1	119.4780	0.000	1	119.6368	2.444	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.6330	2.785	2	119.6330	7.754	2	119.1540	4.565	3	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O){1|H<1>,3|C<3>}	O(CC[6a]2)	118.1960	0.000	1	118.1960	0.000	1	119.1540	4.565	3	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|N<3>,1|O<1>,1|S<2>}	O(CC[6a]2)	117.3270	0.000	1	117.3270	0.000	1	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	118.1150	0.327	2	118.1150	0.107	2	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	118.1810	0.000	1	118.1810	0.000	1	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	O(CC[6a]2)	118.5120	0.000	1	118.1508	1.681	14	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	118.6087	2.655	3	118.1508	1.681	14	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|Cl<1>,1|C<3>,1|N<2>}	O(CC[6a]2)	119.0190	0.000	1	118.1508	1.681	14	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	118.1015	0.438	8	118.1508	1.681	14	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){3|C<3>}	O(CC[6a]2)	115.9420	0.000	1	118.1508	1.681	14	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>}	O(CC[6a]2)	117.3470	0.000	1	117.3470	0.000	1	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]2)	121.4360	0.412	2	120.8940	0.451	4	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.3520	0.086	2	120.8940	0.451	4	118.5553	2.317	23	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[5,6,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO)	O(CC[6a]N)	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO){1|H<1>,2|C<3>,3|C<4>}	O(CC[6a]N)	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5,6a]N[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]N[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO){4|C<3>}	O(CC[6a]N)	120.0513	0.769	4	120.0513	0.591	4	120.0513	0.591	4	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.2865	0.551	2	121.2865	0.303	2	121.2865	0.303	2	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6,6a]N[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6,6a]N[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO){1|C<4>,2|H<1>,3|C<3>}	O(CC[6a]N)	121.8670	0.000	1	121.8670	0.000	1	121.8670	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]N[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	118.7980	0.000	1	118.7980	0.000	1	120.8847	3.029	4	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.5803	1.281	3	121.5803	1.641	3	120.8847	3.029	4	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,2|C<3>}	O(CC[6a]N)	117.8540	0.440	2	118.2660	1.085	27	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.6280	0.000	1	118.2660	1.085	27	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	119.2310	0.828	4	118.2660	1.085	27	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	117.9626	0.702	18	118.2660	1.085	27	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){3|C<3>}	O(CC[6a]N)	117.7975	0.359	2	118.2660	1.085	27	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	O(CC[6a]N)	119.5200	0.000	1	119.5200	0.000	1	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.9880	0.000	1	121.5535	0.378	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){3|C<3>}	O(CC[6a]N)	121.1190	0.000	1	121.5535	0.378	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.2745	1.392	2	122.2745	1.938	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.5210	0.000	1	120.9059	0.871	261	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.7178	0.371	5	120.9059	0.871	261	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.9664	0.607	10	120.9059	0.871	261	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]N)	121.5420	0.355	3	120.9059	0.871	261	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	120.4665	0.579	6	120.9059	0.871	261	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]N)	120.6273	0.484	3	120.9059	0.871	261	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.4152	1.036	52	120.9059	0.871	261	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.7721	0.899	181	120.9059	0.871	261	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	123.3490	0.274	2	122.2939	2.445	9	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.3670	0.773	3	122.2939	2.445	9	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	O(CC[6a]N)	120.9615	1.356	4	122.2939	2.445	9	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.2633	0.503	9	120.2633	0.253	9	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.7217	1.015	13	120.7217	1.029	13	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	O(CC[6a]N)	124.4225	0.343	2	124.4225	0.118	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.5872	0.477	4	119.5872	0.227	4	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.7188	0.710	10	120.7188	0.504	10	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.9297	0.634	3	120.9297	0.401	3	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.3625	0.292	2	122.2100	0.112	3	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.9050	0.000	1	122.2100	0.112	3	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2557	0.862	3	121.5647	0.572	7	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.7965	0.694	4	121.5647	0.572	7	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.6500	1.543	2	119.6500	2.381	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.1050	0.000	1	119.1050	0.000	1	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.1953	0.471	7	120.9270	1.088	65	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.1230	0.000	1	120.9270	1.088	65	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.8773	1.099	55	120.9270	1.088	65	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|O<2>,2|C<3>}	O(CC[6a]N)	121.7545	0.626	2	120.9270	1.088	65	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.7810	0.000	1	119.7810	0.000	1	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.5190	0.000	1	120.5190	0.000	1	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.3102	0.627	5	119.1710	0.483	12	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	119.0716	0.772	7	119.1710	0.483	12	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.2927	0.415	3	121.2927	0.173	3	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	121.4250	0.000	1	121.9257	0.941	3	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.1760	1.228	2	121.9257	0.941	3	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>}	O(CC[6a]N)	121.8180	0.000	1	121.8180	0.000	1	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.8490	1.176	3	121.8490	1.383	3	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	122.3745	0.368	2	121.0320	0.800	185	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	121.8379	0.725	28	121.0320	0.800	185	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.5100	0.000	1	121.0320	0.800	185	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2206	0.692	53	121.0320	0.800	185	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.9720	0.225	2	121.0320	0.800	185	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.6724	0.853	99	121.0320	0.800	185	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|N<2>,1|N<3>}	O(CC[6a]N)	121.9243	0.597	3	121.9243	0.357	3	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.5660	0.928	60	120.6014	0.923	61	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	O(CC[6a]N)	122.7250	0.000	1	120.6014	0.923	61	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	118.5340	0.000	1	119.7869	0.501	32	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	119.0890	0.000	1	119.7869	0.501	32	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.8519	0.679	30	119.7869	0.501	32	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2175	0.474	2	121.2175	0.225	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.4235	0.818	2	120.4235	0.669	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.5519	0.603	34	119.5519	0.364	34	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.7240	0.000	1	122.7240	0.000	1	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	123.5690	0.000	1	123.5690	0.000	1	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	122.2290	0.000	1	121.7356	0.638	53	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.9801	0.798	27	121.7356	0.638	53	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.4518	0.728	25	121.7356	0.638	53	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	121.5480	0.000	1	121.5480	0.000	1	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	121.6831	1.008	23	121.7051	0.983	24	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	O(CC[6a]N)	122.2120	0.000	1	121.7051	0.983	24	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.4855	0.254	2	121.6000	1.188	4	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.7145	0.602	2	121.6000	1.188	4	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.8295	0.886	2	122.8295	0.785	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	122.2945	0.117	2	122.2945	0.014	2	120.8239	1.371	852	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[4,6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[4,6]C[4,6,6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O)	O(CN[4,6]C[6a])	C(C[6a]C[6a]N[6a])(N[4,6]C[4,6,6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O){1|C<3>,2|H<1>}	O(CN[4,6]C[6a])	119.0130	0.000	1	119.0130	0.000	1	119.0130	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[4]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O)	O(CC[6a]N[4])	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	O(CC[6a]N[4])	121.1595	0.698	2	121.1595	0.487	2	120.4518	0.832	4	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[4]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O)	O(CC[6a]N[4])	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	O(CC[6a]N[4])	119.7440	0.066	2	119.7440	0.004	2	120.4518	0.832	4	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5,6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5,6]C[5,6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]O)	O(CN[5,6]C[6a])	C(C[6a]C[6a]N[6a])(N[5,6]C[5,6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]O){1|C<3>,2|H<1>}	O(CN[5,6]C[6a])	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5]C[5,6]C[5])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]N[6a])(N[5]C[5,6]C[5])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	118.1180	0.274	2	118.1180	0.075	2	118.3394	0.070	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	118.4705	0.194	2	118.4705	0.038	2	118.3394	0.070	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	118.5200	0.000	1	118.5200	0.000	1	118.3394	0.070	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(N[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]O[6a])(N[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CN[5]O){1|O<1>,2|C<3>}	O(CC[6a]N[5])	119.0240	0.000	1	119.0240	0.000	1	119.0240	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O){1|H<1>,4|C<3>}	O(CC[6a]N[5a])	118.2870	0.000	1	118.2870	0.000	1	118.2870	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	O(CC[6a]N[5a])	117.7150	0.231	2	117.7150	0.053	2	120.5808	7.286	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N[5a])	121.5250	0.000	1	121.5250	0.000	1	120.5808	7.286	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	O(CC[6a]N[5a])	122.9745	0.561	2	122.9745	0.314	2	120.5808	7.286	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.2120	0.000	1	119.2120	0.000	1	118.9064	2.083	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	117.8670	0.000	1	117.8670	0.000	1	118.9064	2.083	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|H<1>}	O(CC[6a]N[6])	117.1330	0.000	1	118.3170	2.804	2	118.9064	2.083	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|O<2>}	O(CC[6a]N[6])	119.5010	0.000	1	118.3170	2.804	2	118.9064	2.083	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	120.8190	0.000	1	120.8190	0.000	1	118.9064	2.083	5	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:P-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	O(CC[6a]P)	C(C[6a]C[6a]N[6a])(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	O(CC[6a]P)	120.3595	0.721	2	120.3595	0.519	2	120.8287	0.507	14	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:P-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(PC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	O(CC[6a]P)	C(C[6a]C[6a]N[6a])(PC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	O(CC[6a]P)	120.9069	0.711	12	120.9069	0.505	12	120.8287	0.507	14	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(N[5]C[5,5,6,6]N[5])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,5,6,6]N[5])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	121.9550	0.000	1	121.9550	0.000	1	121.9550	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:2:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	119.5620	0.000	1	119.5620	0.000	1	119.5620	0.000	1	120.6861	1.691	964	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	B[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CB[5a]O)	O(CB[5a]C[6a])	C(B[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CB[5a]O){1|C<3>,2|H<1>}	O(CB[5a]C[6a])	119.3990	0.000	3	119.3990	0.000	3	119.3990	0.000	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.0670	0.710	2	120.0670	0.504	2	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.4600	0.000	1	120.4600	0.000	1	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.7116	0.926	10	119.7116	0.857	10	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.2220	3.772	2	119.2220	14.226	2	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5]O){1|C<3>,2|F<1>}	O(CC[6a]C[5])	115.2800	0.000	1	115.2800	0.000	1	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.7173	4.947	4	119.7173	24.473	4	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	113.9410	0.000	1	113.9410	0.000	1	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.4926	0.994	5	121.4926	0.988	5	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	123.6005	0.433	2	123.6005	0.188	2	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5]O){1|C<3>,2|F<1>}	O(CC[6a]C[5])	120.6160	0.000	1	120.6160	0.000	1	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.4552	1.782	5	121.4552	3.175	5	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	123.2820	1.082	2	123.2820	1.170	2	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.8260	0.000	1	121.8260	0.000	1	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.7285	0.496	2	120.7900	0.134	3	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|O<2>}	O(CC[6a]C[5])	120.9130	0.000	1	120.7900	0.134	3	120.4390	6.225	40	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O){1|N<2>,3|C<3>}	O(CC[5a]C[6a])	118.5270	0.000	1	118.5270	0.000	1	118.5270	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O){2|H<1>,3|C<3>}	O(CC[5a]C[6a])	119.5240	0.000	1	119.5240	0.000	1	119.5240	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.9550	0.000	1	120.9550	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5,5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5,5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.5525	0.249	4	120.5525	0.062	4	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.1580	0.840	2	120.1580	0.706	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.8770	0.000	1	120.8770	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.3300	0.000	1	119.3300	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.6184	1.571	16	119.6184	2.469	16	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.3105	0.555	2	119.3105	0.308	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.9910	0.000	1	119.9910	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.2560	0.000	1	119.2560	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.6010	0.000	1	120.6010	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	O(CC[5a]C[6a])	119.3180	0.000	1	119.3180	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[5a]C[6a])	115.5030	0.000	1	115.5030	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	121.2550	0.000	1	121.2550	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[5a]C[6a])	120.0410	0.559	2	120.0410	0.312	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	117.5380	0.000	1	117.5380	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]O){1|C<3>,1|H<1>}	O(CC[5a]C[6a])	118.4100	0.000	1	118.4100	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.4095	1.267	42	119.3680	1.568	44	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|O<2>}	O(CC[5a]C[6a])	118.5600	0.000	1	119.3680	1.568	44	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|N<2>,2|H<1>}	O(CC[5a]C[6a])	118.4310	0.000	1	119.3680	1.568	44	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.2767	0.449	4	119.2767	0.202	4	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.4865	0.749	2	120.4865	0.561	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	122.1890	0.000	1	122.1890	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	122.0050	0.000	1	122.0050	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	117.8740	0.000	1	117.8740	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	118.3349	0.508	8	118.3349	0.259	8	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	O(CC[5a]C[6a])	118.1553	0.923	3	118.1553	0.852	3	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[5a]C[6a])	118.7750	0.000	1	119.5643	3.885	8	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.1648	2.339	5	119.5643	3.885	8	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){2|Br<1>,1|C<3>}	O(CC[5a]C[6a])	120.9240	0.000	1	119.5643	3.885	8	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){2|Cl<1>,1|C<3>}	O(CC[5a]C[6a])	120.9910	0.000	1	119.5643	3.885	8	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[5a]C[6a])	118.0880	0.000	1	119.9654	1.837	88	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.9852	1.356	86	119.9654	1.837	88	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[5a]C[6a])	120.1460	0.000	1	119.9654	1.837	88	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	O(CC[5a]C[6a])	122.0640	0.000	1	122.0640	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]O){2|H<1>,3|C<3>}	O(CC[5a]C[6a])	120.2130	0.000	1	120.2130	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	121.6870	0.000	1	121.6870	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	O(CC[5a]C[6a])	118.9905	1.107	21	118.9905	1.226	21	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[5a]C[6a])	121.1620	0.000	1	120.2553	4.423	3	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	117.8510	0.000	1	120.2553	4.423	3	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|H<1>,2|C<3>}	O(CC[5a]C[6a])	121.7530	0.000	1	120.2553	4.423	3	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[5a]C[6a])	121.8150	0.000	1	120.9143	2.051	13	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[5a]C[6a])	120.7910	0.000	1	120.9143	2.051	13	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.7309	1.575	10	120.9143	2.051	13	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[5a]C[6a])	121.9710	0.000	1	120.9143	2.051	13	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|C<4>}	O(CC[5a]C[6a])	119.4673	0.571	3	120.3037	1.392	77	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.3826	1.171	72	120.3037	1.392	77	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|O<2>}	O(CC[5a]C[6a])	118.7160	0.276	2	120.3037	1.392	77	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	O(CC[5a]C[6a])	118.9370	0.147	2	118.9370	0.022	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	121.5060	0.000	1	121.5060	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[5a]C[6a])	119.5390	0.000	1	120.3227	0.358	4	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.5840	0.356	3	120.3227	0.358	4	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.0109	0.922	16	120.0109	0.851	16	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O){4|C<3>}	O(CC[5a]C[6a])	122.3520	0.000	1	122.3520	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[5a]O){1|H<1>,2|C<3>}	O(CC[5a]C[6a])	119.8578	1.006	5	119.8578	1.011	5	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	O(CC[5a]C[6a])	118.9850	0.000	1	118.9850	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]O){5|C<3>}	O(CC[5a]C[6a])	121.6260	0.000	1	121.6260	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.7580	0.000	1	119.7580	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	O(CC[5a]C[6a])	119.9517	0.861	6	119.9517	0.741	6	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	121.2280	0.100	2	121.2280	0.010	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.4650	0.000	1	120.4650	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.8460	1.024	26	119.8460	1.048	26	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O){4|C<3>}	O(CC[5a]C[6a])	120.9400	0.000	1	120.9400	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.2897	0.424	3	120.2897	0.180	3	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,5a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,5a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.5503	0.957	3	120.5503	0.916	3	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.0940	0.000	1	120.0940	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	120.6527	1.824	8	120.6527	3.326	8	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.7680	0.000	1	119.7680	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	117.5820	0.000	1	117.5820	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[5a]C[6a])	121.8380	0.000	1	120.1920	5.419	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	118.5460	0.000	1	120.1920	5.419	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[5a]C[6a])	120.2260	0.537	2	119.7481	0.779	28	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.7706	0.866	25	119.7481	0.779	28	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[5a]C[6a])	118.2290	0.000	1	119.7481	0.779	28	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	O(CC[5a]C[6a])	119.7350	0.000	1	119.7350	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[5a]C[6a])	120.0830	0.000	1	120.0830	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	121.1653	1.033	7	121.1653	1.068	7	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	O(CC[5a]C[6a])	120.2730	0.000	1	120.2730	0.000	1	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	121.3275	0.145	2	121.3275	0.021	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	O(CC[5a]C[6a])	121.6990	0.480	4	121.6990	0.231	4	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	O(CC[5a]C[6a])	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	O(CC[5a]C[6a])	122.0085	0.730	2	122.0085	0.534	2	119.9476	1.759	447	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	121.4533	0.724	6	121.4533	0.525	6	120.1916	11.582	7	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	112.6210	0.000	1	112.6210	0.000	1	120.1916	11.582	7	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.4470	0.000	1	116.4670	11.148	4	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C[6])	114.8070	0.434	3	116.4670	11.148	4	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	116.5600	0.000	1	116.5600	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	116.8165	2.743	15	116.9119	6.675	17	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|N<2>,2|H<1>}	O(CC[6a]C[6])	117.6275	0.569	2	116.9119	6.675	17	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C[6])	122.4630	0.000	1	122.4630	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.5040	0.000	1	121.5040	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.3850	0.000	1	121.3850	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	114.5135	0.386	4	114.5135	0.149	4	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[6])	122.4205	0.409	2	118.9082	7.740	12	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	118.2058	2.480	10	118.9082	7.740	12	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.3952	0.962	6	120.3952	0.925	6	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.7660	0.000	1	120.7660	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.5675	0.223	2	121.2863	0.262	3	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|O<2>}	O(CC[6a]C[6])	120.7240	0.000	1	121.2863	0.262	3	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	123.7490	0.000	1	123.7490	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.4530	0.000	1	119.4530	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.4916	1.473	5	120.4916	2.168	5	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.0250	0.000	1	119.0250	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[6])	117.7872	1.532	5	118.9358	3.928	18	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.4982	2.045	12	118.9358	3.928	18	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C[6])	117.9290	0.000	1	118.9358	3.928	18	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	122.1900	0.552	2	122.1900	0.304	2	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	122.5825	1.029	2	122.5825	1.059	2	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]P[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]P[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	117.3810	0.000	1	117.3810	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]S[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.6620	0.000	1	119.6620	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]N[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]N[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	122.1800	0.000	1	122.1800	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]N[5a,6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]N[5a,6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	123.2650	0.000	1	123.2650	0.000	1	118.8799	7.842	85	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:B[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(B[5]N[5]2)(O)	C[6a](C[6a]C[6a]H)2(CB[5]O)	O(CC[6a]B[5])	C(C[6a]C[6a]2)(B[5]N[5]2)(O)	C[6a](C[6a]C[6a]H)2(CB[5]O){1|C<3>,2|H<1>}	O(CC[6a]B[5])	119.7030	0.000	2	119.7030	0.000	2	119.7030	0.000	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(CC[6a]C)	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]C)	121.3490	0.000	1	120.7390	0.744	2	119.6635	1.010	6	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	O(CC[6a]C)	120.1290	0.000	1	120.7390	0.744	2	119.6635	1.010	6	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO){1|C<4>,3|C<3>}	O(CC[6a]C)	119.3015	0.820	2	119.3015	0.672	2	119.6635	1.010	6	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]C)	118.9500	0.204	2	118.9500	0.041	2	119.6635	1.010	6	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	O(CC[6a]C)	119.3430	0.000	1	119.3430	0.000	1	119.3333	1.836	16	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	O(CC[6a]C)	119.3327	1.403	15	119.3327	1.968	15	119.3333	1.836	16	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	124.0170	0.000	1	124.0170	0.000	1	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<2>,3|C<3>}	O(CC[6a]C)	121.2170	0.000	1	121.2170	0.000	1	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CCO){4|C<3>}	O(CC[6a]C)	118.3520	0.000	1	118.3520	0.000	1	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	120.8266	0.860	5	120.8266	0.739	5	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	124.3810	0.000	2	124.3810	0.000	2	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5a]O)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5a]O)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	127.1850	0.000	1	127.1850	0.000	1	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	126.2670	1.301	2	126.2670	1.693	2	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CNO)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CNO)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	125.4470	0.000	1	125.4470	0.000	1	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(COO)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(COO)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	126.8680	0.000	1	126.8680	0.000	1	123.2343	8.349	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C)	119.1783	1.053	4	119.1783	1.109	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.1524	1.848	5	121.1524	3.414	5	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	123.1770	0.000	1	123.1770	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.1985	3.689	2	121.1985	13.609	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	120.7015	2.239	2	120.7015	5.015	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	115.3880	0.000	1	115.3880	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0849	1.119	9	120.0849	1.253	9	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	118.2240	0.819	2	118.2240	0.670	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.3820	0.000	1	120.3820	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C)	119.0960	0.000	1	119.0960	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	119.4100	0.000	1	119.4100	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.7930	0.000	1	121.7930	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.7135	1.900	4	119.7135	3.610	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.4138	0.451	5	119.7844	5.514	108	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.9571	2.260	100	119.7844	5.514	108	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	O(CC[6a]C)	114.6457	0.576	3	119.7844	5.514	108	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4270	0.000	1	120.4270	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCF)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCF)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.6997	2.398	4	118.6997	5.749	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.6480	0.000	1	120.4428	0.124	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.3743	0.397	3	120.4428	0.124	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	122.1628	0.531	12	122.1628	0.282	12	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	119.4060	0.187	2	119.4060	0.035	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.6600	0.000	1	118.8708	3.684	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]C)	117.2120	0.109	2	118.8708	3.684	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.3990	0.000	1	118.8708	3.684	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.7430	0.000	1	119.7430	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.2343	0.364	3	120.2107	0.055	7	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.1930	0.146	4	120.2107	0.055	7	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	119.6820	0.400	4	119.6820	0.160	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.7770	0.000	1	120.7770	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	O(CC[6a]C)	119.4017	1.008	7	119.4017	1.017	7	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	O(CC[6a]C)	119.6179	0.740	16	119.6179	0.548	16	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.3942	0.568	18	120.3942	0.323	18	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	118.7510	0.000	1	118.7510	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.6812	0.710	6	119.6812	0.504	6	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.1060	0.000	1	120.1060	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	O(CC[6a]C)	118.1770	0.000	1	118.1770	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]C)	121.5710	0.000	1	121.5710	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	120.4729	0.383	14	120.4729	0.147	14	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	O(CC[6a]C)	122.4270	0.000	1	122.4270	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.0531	0.965	7	119.0531	0.931	7	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.4560	0.000	1	119.6740	3.315	5	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.4785	2.041	4	119.6740	3.315	5	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|N<3>}	O(CC[6a]C)	120.0070	0.000	1	120.0070	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C)	118.9920	0.355	2	118.9167	1.102	29	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.9246	1.106	26	118.9167	1.102	29	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	118.5600	0.000	1	118.9167	1.102	29	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)2(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C)	118.6970	0.000	1	118.6970	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	117.4522	0.282	4	117.4522	0.079	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	O(CC[6a]C)	118.6500	0.443	2	118.6500	0.196	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.1520	0.000	1	121.0380	0.390	27	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.0337	0.637	26	121.0380	0.390	27	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	118.7530	0.000	1	119.3438	0.743	84	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	119.5048	0.644	9	119.3438	0.743	84	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C)	118.6277	1.056	4	119.3438	0.743	84	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.6632	0.724	6	119.3438	0.743	84	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.3540	0.854	60	119.3438	0.743	84	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	119.6600	1.348	3	119.3438	0.743	84	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){2|Cl<1>,1|C<3>}	O(CC[6a]C)	117.8760	0.000	1	119.3438	0.743	84	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.8127	1.109	3	119.8127	1.230	3	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	118.8197	0.702	9	118.8197	0.493	9	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	120.1724	0.781	11	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]C)	119.9880	0.000	1	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.0940	0.276	2	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C)	120.7370	0.000	1	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	119.0398	0.452	13	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.8370	0.629	28	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|F<1>}	O(CC[6a]C)	119.1235	0.309	2	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.3307	1.435	454	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	O(CC[6a]C)	118.9423	0.890	6	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	119.9347	0.407	10	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	115.6350	0.000	1	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	O(CC[6a]C)	118.4174	1.507	9	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){3|C<3>}	O(CC[6a]C)	118.7790	0.000	1	119.3568	1.898	539	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	118.5890	0.445	2	118.5890	0.198	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	119.5480	0.000	1	119.2770	0.407	17	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]C)	118.4500	0.000	1	119.2770	0.407	17	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.1953	0.503	3	119.2770	0.407	17	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	119.9320	0.115	2	119.2770	0.407	17	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.2261	0.693	10	119.2770	0.407	17	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.1750	0.000	1	120.1750	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4580	2.913	4	120.4580	8.483	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.9900	0.000	1	120.9900	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.6254	1.682	36	120.6254	2.828	36	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	123.3840	0.000	1	121.8972	2.687	15	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.8309	1.707	13	121.8972	2.687	15	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.2720	0.000	1	121.8972	2.687	15	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	117.9457	0.655	3	117.9457	0.429	3	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.4400	0.000	1	122.4400	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.1064	1.660	21	121.1064	2.757	21	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.9100	0.000	1	122.9100	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]2)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]2)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.0130	0.429	2	122.0130	0.184	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	119.0030	0.000	1	119.0030	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	121.4000	0.000	1	119.9236	4.633	15	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.8181	2.193	14	119.9236	4.633	15	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	118.8890	0.000	1	118.8890	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	119.0900	0.000	1	119.0900	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	117.1150	0.000	1	117.1150	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.8510	0.000	1	118.8510	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.2704	1.426	37	119.2787	1.928	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	119.5730	0.000	1	119.2787	1.928	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	O(CC[6a]C)	119.2910	0.000	1	119.2787	1.928	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.1345	2.302	4	119.1345	5.298	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.1565	0.995	2	123.1565	0.990	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.8235	2.594	2	118.8235	6.731	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.2285	0.268	2	123.2285	0.072	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.8065	2.722	2	120.8065	7.407	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.2155	0.233	2	123.2155	0.054	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.9202	0.950	4	122.9202	0.903	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.9555	0.433	2	119.9555	0.188	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.3032	2.082	17	120.3032	4.334	17	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0720	0.959	2	120.0720	0.919	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	116.4630	0.000	1	118.3202	3.025	22	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	117.9270	0.145	3	118.3202	3.025	22	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.4889	1.864	18	118.3202	3.025	22	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]C)	119.0955	0.139	2	119.0955	0.019	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.8360	0.000	1	119.7150	2.513	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	118.5940	0.000	1	119.7150	2.513	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.2507	2.389	24	120.2507	5.708	24	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[4])(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[4])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.7960	0.000	1	121.7960	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	117.4775	0.643	2	117.4775	0.413	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	122.3790	0.000	1	122.3790	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.0237	1.507	7	122.0237	2.272	7	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.4520	0.000	1	122.4520	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.3693	1.200	29	122.3693	1.439	29	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	123.9230	0.000	1	123.9230	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	122.9120	0.000	1	122.9120	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	123.1800	0.000	1	123.1800	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.3685	0.722	2	122.3560	1.587	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.3435	0.583	2	122.3560	1.587	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.5420	0.000	1	123.5420	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.1770	0.000	1	122.1770	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.3577	0.769	3	123.3577	0.592	3	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	123.4890	0.000	1	123.6250	0.479	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]C)	123.9580	0.000	1	123.6250	0.479	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	123.3160	0.000	1	123.6250	0.479	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	124.7950	1.092	2	123.6250	0.479	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.5535	0.600	30	123.6250	0.479	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,1|N<2>,1|N<3>}	O(CC[6a]C)	122.9660	0.146	2	123.6250	0.479	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Pt<4>,1|C<3>,1|H<1>}	O(CC[6a]C)	124.2425	1.351	2	123.6250	0.479	39	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.4159	1.652	9	121.4159	2.730	9	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.2290	0.000	1	122.2290	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	120.0210	0.000	1	121.7935	3.785	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.3843	1.893	3	121.7935	3.785	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	117.6140	0.000	1	117.6140	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	116.3350	0.000	1	116.3350	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	116.5904	2.012	8	116.5904	4.050	8	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CIrN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CIrN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.4260	0.000	1	121.4260	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.5711	0.828	16	122.5711	0.686	16	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.9385	0.829	2	122.9385	0.688	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.6980	1.739	2	123.6980	3.026	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.3537	1.544	3	122.3537	2.383	3	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.1643	1.154	30	123.1585	1.222	33	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	123.1010	0.510	3	123.1585	1.222	33	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.4983	0.779	6	119.4983	0.607	6	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.1835	1.290	2	122.1835	1.665	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.6650	0.000	1	122.6650	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.5390	0.509	2	122.5390	0.259	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.9600	0.000	1	121.9600	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	118.4180	0.000	1	119.8443	0.577	6	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.1296	0.333	5	119.8443	0.577	6	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.1690	0.000	1	120.1690	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	120.0640	0.000	1	120.0640	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2706	0.722	11	121.2706	0.521	11	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]C)	122.5180	0.000	1	122.5180	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.6020	0.716	2	118.6020	0.512	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.3550	0.000	1	123.3550	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]Br)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]Br)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	122.7300	0.000	1	122.7300	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]Br)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]Br)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	122.8470	0.000	1	122.8470	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]C)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]C)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	123.1720	0.000	1	123.1720	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]H)(O)	C[6a](C[6a]C[6a]F)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]H)(O)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	O(CC[6a]C)	116.5590	0.000	1	116.5590	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.8255	1.010	4	122.8255	1.019	4	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]S)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]S)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.8953	0.117	3	122.8953	0.014	3	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCO){2|C<3>}	O(CC[6a]C)	124.1780	0.000	1	124.1780	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]2)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	O(CC[6a]C)	121.7360	0.000	1	121.7360	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	126.1560	0.000	1	126.1560	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.7145	0.911	2	123.7145	0.831	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	122.1490	0.000	1	124.0898	1.134	21	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	122.9150	0.000	1	124.0898	1.134	21	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	124.2537	0.972	19	124.0898	1.134	21	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]C)	123.5445	0.712	2	123.5445	0.507	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRhO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CRhO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	125.2130	0.000	1	125.2130	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CRuC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.0640	0.000	1	121.0640	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSeC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CSeC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0850	0.000	1	120.0850	0.000	1	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSeN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CSeN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.6955	1.158	2	121.6955	1.340	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSeN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CSeN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.7730	0.195	2	121.7730	0.038	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSiC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CSiC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.7160	0.991	2	119.7160	0.983	2	120.1244	3.935	1467	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[4]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[5]O){2|H<1>,5|C<3>}	O(CC[6a]C[5])	121.4820	0.000	1	121.4820	0.000	1	121.6410	0.051	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]O){2|H<1>,3|C<3>}	O(CC[6a]C[5])	121.8000	0.000	1	121.8000	0.000	1	121.6410	0.051	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O){1|H<1>,2|C<3>}	O(CC[6a]C[5])	115.1600	0.000	1	115.1600	0.000	1	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5]O){2|C<3>}	O(CC[6a]C[5])	118.8830	0.000	1	118.8830	0.000	1	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]O){2|H<1>,3|C<3>}	O(CC[6a]C[5])	119.0510	0.000	1	119.0510	0.000	1	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.2170	1.684	2	120.2170	2.837	2	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.5563	1.017	3	120.5563	1.035	3	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C[5])	115.6020	0.000	1	115.7635	0.052	2	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C[5])	115.9250	0.000	1	115.7635	0.052	2	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]C[5])	114.2995	0.340	2	119.3229	5.676	62	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.6030	2.112	58	119.3229	5.676	62	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C[5])	113.2460	0.000	1	119.3229	5.676	62	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){2|Br<1>,1|C<3>}	O(CC[6a]C[5])	119.2000	0.000	1	119.3229	5.676	62	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	122.7060	0.000	1	122.7060	0.000	1	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	123.2000	0.000	1	123.2000	0.000	1	119.3331	5.846	74	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O){1|O<2>,2|C<3>,2|H<1>}	O(CC[5a]C[6a])	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O)	O(CC[5a]C[6a])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O){1|H<1>,4|C<3>}	O(CC[5a]C[6a])	119.0200	0.000	1	119.0200	0.000	1	119.0200	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]O){2|H<1>,3|C<3>}	O(CC[6a]C[6])	116.7890	0.000	1	116.7890	0.000	1	120.3635	25.554	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]O){1|H<1>,4|C<3>}	O(CC[6a]C[6])	123.9380	0.000	1	123.9380	0.000	1	120.3635	25.554	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6]O){1|H<1>,2|C<3>}	O(CC[6a]C[6])	118.4040	0.000	1	118.4040	0.000	1	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[6])	118.1940	0.000	1	118.1940	0.000	1	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	116.8730	1.212	3	116.8730	1.470	3	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	115.2930	0.156	2	115.2930	0.024	2	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C[6])	119.2460	0.000	1	121.1790	2.809	3	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C[6])	122.1455	0.112	2	121.1790	2.809	3	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]O){1|C<3>,1|H<1>}	O(CC[6a]C[6])	119.7030	0.000	1	119.7030	0.000	1	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[6])	115.5910	0.000	1	119.7198	3.567	92	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.7652	1.848	91	119.7198	3.567	92	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.5410	7.090	3	121.5410	50.264	3	119.6216	4.920	106	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	B[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	120.7145	0.309	2	120.7145	0.095	2	120.7145	0.095	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]2)	121.3130	0.000	1	121.3130	0.000	1	121.3130	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){1|N<2>,2|N<3>,4|C<3>}	O(CC[6a]2)	118.8710	0.000	1	118.5025	0.272	2	118.9810	0.823	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){2|N<3>,5|C<3>}	O(CC[6a]2)	118.1340	0.000	1	118.5025	0.272	2	118.9810	0.823	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O){2|C<4>,2|N<3>,3|N<2>}	O(CC[6a]2)	119.9380	0.000	1	119.9380	0.000	1	118.9810	0.823	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|O<2>,5|C<3>}	O(CC[6a]2)	119.1705	0.080	2	119.1705	0.006	2	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]2)	119.7277	0.831	3	119.9417	0.644	4	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]2)	120.5840	0.000	1	119.9417	0.644	4	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]2)	120.2920	0.000	1	120.6953	1.028	4	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,4|C<3>}	O(CC[6a]2)	120.4580	0.000	1	120.6953	1.028	4	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|S<2>,2|C<3>,2|H<1>}	O(CC[6a]2)	122.1690	0.000	1	120.6953	1.028	4	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.8620	0.000	1	120.6953	1.028	4	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]O){4|C<3>}	O(CC[6a]2)	120.0600	0.000	1	120.0600	0.000	1	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	O(CC[6a]2)	118.2805	1.906	2	118.2805	3.632	2	119.8085	1.452	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C-3:	C(C[6a]C[6,6,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	O(CC[6a]2)	120.8310	1.020	3	120.8310	1.041	3	120.8310	1.041	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	O(CC[6a]2)	119.7410	0.000	1	119.7537	0.111	3	119.7537	0.111	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(CC[6a]2)	119.7600	0.471	2	119.7537	0.111	3	119.7537	0.111	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]2)	120.9890	0.000	1	120.9890	0.000	1	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]O[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]O[6a]O)(CC[6a]O){4|C<3>}	O(CC[6a]2)	120.5900	0.000	1	120.5900	0.000	1	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]2)	120.3960	0.976	3	120.3960	0.952	3	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O(CC[6a]2)	119.8160	0.000	1	119.8160	0.000	1	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]2)	118.1430	0.252	2	118.1430	0.063	2	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]2)	118.8410	0.000	1	118.8410	0.000	1	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]2)	121.7385	0.377	2	120.7830	2.088	4	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]2)	119.8275	1.572	2	120.7830	2.088	4	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CC[6a]O){1|C<4>,3|C<3>}	O(CC[6a]2)	120.0700	0.000	1	120.0700	0.000	1	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(CC[6a]2)	122.3270	0.000	1	122.3270	0.000	1	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]2)	122.6890	0.000	1	122.6890	0.000	1	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]2)	123.1580	0.000	1	123.1580	0.000	1	120.5345	2.408	17	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(CC[6a]2)	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]O){3|H<1>,5|C<3>}	O(CC[6a]2)	118.7860	0.000	1	118.7860	0.000	1	118.9530	0.056	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC[6a]O){1|C<4>,4|C<3>}	O(CC[6a]2)	119.1200	0.000	1	119.1200	0.000	1	118.9530	0.056	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]2)2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O){2|H<1>,5|C<3>}	O(CC[6a]2)	118.6840	0.496	3	118.6840	0.246	3	119.4485	0.942	6	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O){2|H<1>,5|C<3>}	O(CC[6a]2)	120.2130	0.597	3	120.2130	0.356	3	119.4485	0.942	6	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	116.1000	0.000	1	116.1000	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	122.1260	0.000	1	122.1260	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	121.6635	0.238	2	121.6635	0.057	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	120.3260	0.000	1	120.3260	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	120.9690	1.538	4	121.5730	4.498	13	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	121.8414	2.366	9	121.5730	4.498	13	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O){5|C<3>}	O(CC[6a]2)	120.1535	0.029	2	120.1535	0.001	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]2)	120.1700	0.000	1	120.1700	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,6|C<3>}	O(CC[6a]2)	118.6745	1.122	2	118.6745	1.259	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	120.8300	0.000	2	120.8300	0.000	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(CC[6a]2)	118.2080	0.000	1	118.4735	0.141	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O){2|H<1>,5|C<3>}	O(CC[6a]2)	118.7390	0.000	1	118.4735	0.141	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]2)	118.8050	0.222	3	119.3601	0.859	9	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	119.8720	0.814	3	119.3601	0.859	9	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.4033	1.366	3	119.3601	0.859	9	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|C<2>,1|H<1>,3|C<3>}	O(CC[6a]2)	119.6034	0.577	5	120.2342	1.539	22	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]2)	121.3095	0.206	2	120.2342	1.539	22	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]2)	118.2440	0.000	1	120.2342	1.539	22	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]2)	119.2760	0.000	1	120.2342	1.539	22	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]2)	118.7110	0.000	1	120.2342	1.539	22	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	120.9205	0.030	2	120.2342	1.539	22	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]2)	120.9215	0.535	2	120.2342	1.539	22	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	120.5751	1.528	8	120.2342	1.539	22	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]2)	121.1510	0.000	1	120.2200	0.657	3	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	119.7545	0.117	2	120.2200	0.657	3	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|H<1>,3|C<3>}	O(CC[6a]2)	119.8110	1.434	4	119.5931	1.527	93	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]2)	119.9850	0.000	1	119.5931	1.527	93	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]2)	118.5220	0.000	1	119.5931	1.527	93	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	119.1734	1.205	58	119.5931	1.527	93	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|Br<1>,3|C<3>}	O(CC[6a]2)	120.3770	0.000	1	119.5931	1.527	93	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	120.4276	0.855	28	119.5931	1.527	93	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	O(CC[6a]2)	121.7950	0.000	1	121.5715	0.100	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	121.3480	0.000	1	121.5715	0.100	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	O(CC[6a]2)	119.9840	0.000	1	119.9840	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)(CC[6a]O){5|C<3>}	O(CC[6a]2)	118.6020	0.000	1	118.6020	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	O(CC[6a]2)	120.3487	0.994	3	120.7322	1.247	4	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	121.8830	0.000	1	120.7322	1.247	4	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CC[6a]O){4|C<3>}	O(CC[6a]2)	118.3560	0.000	1	118.3560	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,3|C<3>}	O(CC[6a]2)	119.0150	0.173	2	119.0150	0.030	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O){2|H<1>,5|C<3>}	O(CC[6a]2)	122.4070	0.000	1	122.4070	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	123.5360	0.000	1	123.5360	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	119.5780	1.673	2	119.5780	2.799	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	120.8570	0.718	2	120.8570	0.516	2	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	121.9453	2.323	6	121.9453	5.396	6	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	121.1900	0.078	2	119.8990	1.739	5	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.0383	0.835	3	119.8990	1.739	5	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	O(CC[6a]2)	114.0730	0.000	1	114.0730	0.000	1	119.9676	2.509	183	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[5a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O){7|C<3>}	O(CC[6a]2)	118.9203	0.542	7	118.9203	0.293	7	118.9203	0.293	7	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.0225	0.001	2	120.0225	0.000	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	116.7790	0.000	1	116.7790	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	121.6600	0.000	1	121.6600	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	121.9915	0.629	2	121.9915	0.395	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.6195	0.237	2	119.6195	0.056	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.6574	1.216	18	120.6574	1.478	18	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.0200	0.000	1	119.0200	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.9690	0.000	1	120.9690	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.1060	0.876	3	120.1060	0.767	3	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.5420	0.612	3	120.5420	0.375	3	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.7938	2.496	16	119.7938	6.230	16	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	121.4920	0.000	1	121.4920	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	121.5590	0.651	4	121.5590	0.424	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]H)2(CC[6a]O){1|C<3>}	O(CC[6a]2)	121.4760	0.000	1	121.4760	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.8110	0.712	5	120.8110	0.508	5	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	117.6140	0.000	1	117.6140	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.7944	1.243	7	119.7944	1.545	7	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.7892	0.368	4	120.7892	0.135	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.8330	0.901	2	120.8330	0.812	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	115.5615	2.060	2	115.5615	4.243	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.6130	1.575	2	120.6130	2.482	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[6a]O){1|C<3>,2|F<1>}	O(CC[6a]2)	116.6210	0.000	1	116.6210	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	117.7450	0.000	1	117.7450	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.2480	0.000	1	120.2480	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.9410	0.000	1	120.9410	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	122.0665	1.160	2	120.6414	2.017	134	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]2)	121.0460	0.000	1	120.6414	2.017	134	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2)	120.3530	0.000	1	120.6414	2.017	134	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|C<4>}	O(CC[6a]2)	120.7580	0.863	3	120.6414	2.017	134	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.5974	1.443	125	120.6414	2.017	134	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|N<3>}	O(CC[6a]2)	121.7330	0.137	2	120.6414	2.017	134	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	121.6430	0.000	1	121.6430	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	121.5990	0.793	2	121.5990	0.629	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	125.0540	0.000	1	125.0540	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	122.3145	0.098	2	122.3145	0.010	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]2)	118.3132	0.624	4	118.3132	0.390	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]O){1|C<4>,2|C<3>}	O(CC[6a]2)	119.0200	0.000	1	118.9095	0.024	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	118.7990	0.000	1	118.9095	0.024	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	119.2150	0.000	1	118.7554	0.602	5	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2)	117.9520	0.317	2	118.7554	0.602	5	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	119.3290	0.383	2	118.7554	0.602	5	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O){4|C<3>}	O(CC[6a]2)	118.6405	3.239	2	118.6405	10.493	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	120.6880	0.000	1	120.6880	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2)	119.9810	0.000	1	119.9810	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2)	120.8435	0.521	2	121.0549	1.260	18	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2)	121.7285	1.002	2	121.0549	1.260	18	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]2)	121.3227	1.478	8	121.0549	1.260	18	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.6603	0.815	3	121.0549	1.260	18	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|N<3>,2|C<3>}	O(CC[6a]2)	120.6460	0.042	2	121.0549	1.260	18	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	O(CC[6a]2)	119.9900	0.000	1	121.0549	1.260	18	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|I<1>,1|S<2>}	O(CC[6a]2)	119.6010	0.000	1	119.6010	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|S<2>}	O(CC[6a]2)	117.6690	0.000	1	117.6690	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	O(CC[6a]2)	117.8080	0.409	2	117.8080	0.167	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|C<2>,1|N<3>,3|C<3>}	O(CC[6a]2)	119.7630	0.000	1	119.7190	0.297	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|C<2>,4|C<3>}	O(CC[6a]2)	120.2360	0.000	1	119.7190	0.297	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|N<3>,4|C<3>}	O(CC[6a]2)	118.9570	0.000	1	119.7190	0.297	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){5|C<3>}	O(CC[6a]2)	119.9200	0.000	1	119.7190	0.297	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	O(CC[6a]2)	117.8980	0.000	1	117.8980	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	O(CC[6a]2)	118.2220	0.000	1	119.5767	0.531	12	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]2)	120.8180	0.000	1	119.5767	0.531	12	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]2)	119.6453	0.432	7	119.5767	0.531	12	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.4543	0.797	3	119.5767	0.531	12	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	121.6600	0.000	1	121.6600	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	122.0450	0.000	1	119.4376	2.176	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2)	118.2295	0.513	4	119.4376	2.176	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]2)	120.1793	0.277	3	119.4376	2.176	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	121.8370	0.000	1	121.8370	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(CC[6a]O){1|C<2>,4|C<3>}	O(CC[6a]2)	119.1510	0.000	1	119.1510	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.5753	0.464	3	120.5753	0.215	3	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	O(CC[6a]2)	120.0740	0.000	1	120.0740	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	119.0300	0.000	1	119.0300	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	O(CC[6a]2)	117.4350	0.000	1	117.4350	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){4|C<3>}	O(CC[6a]2)	119.9860	0.000	1	119.9860	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]O){1|C<4>,4|C<3>}	O(CC[6a]2)	120.9120	0.096	2	120.9120	0.009	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]O){4|C<3>}	O(CC[6a]2)	119.2395	1.249	2	119.2395	1.561	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	118.3990	0.000	1	118.3990	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	119.2200	0.000	1	119.2200	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]2)	120.4100	0.000	1	119.3776	1.822	7	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	119.5508	1.236	5	119.3776	1.822	7	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	O(CC[6a]2)	117.4790	0.000	1	119.3776	1.822	7	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.5219	0.964	10	120.5419	0.840	11	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|I<1>,2|C<3>}	O(CC[6a]2)	120.7420	0.000	1	120.5419	0.840	11	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	O(CC[6a]2)	117.4610	0.953	4	117.4610	0.908	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	O(CC[6a]2)	119.2158	1.694	9	119.2158	2.871	9	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	119.2730	0.000	1	119.2730	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	O(CC[6a]2)	120.6170	0.000	1	120.6170	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[6a]O){1|O<2>,2|C<3>}	O(CC[6a]2)	120.7225	0.486	2	120.7225	0.236	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.6805	0.223	2	120.6805	0.050	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]O){2|C<3>}	O(CC[6a]2)	120.3298	0.819	5	120.3298	0.670	5	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.0560	0.000	1	120.0560	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O){1|N<3>,4|C<3>}	O(CC[6a]2)	118.7975	0.418	2	119.2475	0.332	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O){5|C<3>}	O(CC[6a]2)	119.6975	0.101	2	119.2475	0.332	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	O(CC[6a]2)	118.4890	0.000	1	119.3251	0.842	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]2)	120.3005	0.325	2	119.3251	0.842	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.7050	0.000	1	119.3251	0.842	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){5|C<3>}	O(CC[6a]2)	118.9515	0.910	4	119.3251	0.842	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)2(CC[6a]O){7|C<3>}	O(CC[6a]2)	120.2164	0.962	10	120.2164	0.926	10	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>,2|O<2>}	O(CC[6a]2)	119.5900	0.000	1	119.5900	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.9915	0.636	2	120.9915	0.404	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]O){1|C<3>,2|F<1>}	O(CC[6a]2)	116.5840	0.000	1	116.5840	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	119.3660	0.000	1	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	119.6773	0.430	3	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2)	119.2975	3.320	2	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2)	119.2097	2.122	7	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.7874	1.434	67	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|O<2>}	O(CC[6a]2)	119.8675	1.244	4	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	O(CC[6a]2)	118.4380	1.226	5	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	119.7385	1.267	13	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	O(CC[6a]2)	118.1950	0.485	2	119.6334	2.128	104	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2)	116.9825	2.481	4	118.2587	5.305	9	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.2796	1.750	5	118.2587	5.305	9	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|H<1>}	O(CC[6a]2)	120.0910	0.000	1	119.9055	0.069	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	O(CC[6a]2)	119.7200	0.000	1	119.9055	0.069	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]2)	118.2610	0.341	2	119.6286	2.266	29	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	119.2200	0.000	1	119.6286	2.266	29	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|C<4>}	O(CC[6a]2)	118.9994	1.602	7	119.6286	2.266	29	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.2986	0.869	18	119.6286	2.266	29	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|O<2>}	O(CC[6a]2)	115.1180	0.000	1	119.6286	2.266	29	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	119.0660	0.000	1	118.6133	1.787	20	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	118.5410	1.422	17	118.6133	1.787	20	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	119.0015	0.995	2	118.6133	1.787	20	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.0197	1.543	3	119.3847	2.120	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.4800	0.000	1	119.3847	2.120	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)2(CC[6a]O){1|C<3>,2|F<1>}	O(CC[6a]2)	119.1835	0.996	6	119.0210	0.757	12	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)2(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	118.8585	0.782	6	119.0210	0.757	12	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	123.0160	1.213	2	120.7806	3.000	36	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2)	121.5803	1.503	4	120.7806	3.000	36	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<4>}	O(CC[6a]2)	118.0570	0.000	1	120.7806	3.000	36	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.1461	1.521	12	120.7806	3.000	36	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	120.7206	1.797	14	120.7806	3.000	36	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	121.9500	0.440	3	120.7806	3.000	36	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	120.4967	1.245	7	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	120.9030	0.720	16	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]2)	119.1305	1.181	4	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]2)	120.7740	0.000	1	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2)	120.6500	0.000	1	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2)	119.9967	1.307	6	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	O(CC[6a]2)	120.9847	1.575	4	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.0585	1.342	61	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<4>,2|C<3>}	O(CC[6a]2)	119.3670	1.649	3	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	119.8368	1.051	9	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	120.3820	0.476	4	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|O<2>,2|C<3>}	O(CC[6a]2)	119.3925	1.846	2	120.1721	1.589	118	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	116.8825	0.580	4	116.8825	0.336	4	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.0940	0.000	1	120.0940	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|H<1>}	O(CC[6a]2)	120.4500	0.000	1	120.4500	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<2>,1|C<3>}	O(CC[6a]2)	117.4015	0.213	2	118.5307	1.559	10	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]2)	117.5650	0.000	1	118.5307	1.559	10	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	O(CC[6a]2)	119.1503	0.267	3	118.5307	1.559	10	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	O(CC[6a]2)	121.4270	0.000	1	118.5307	1.559	10	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	O(CC[6a]2)	118.0203	0.147	3	118.5307	1.559	10	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|B<3>,1|C<3>,1|H<1>}	O(CC[6a]2)	119.7700	0.000	1	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	120.1221	0.959	9	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2)	120.4747	0.829	21	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]2)	119.0640	0.000	1	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]2)	119.2943	1.525	3	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]2)	121.0320	0.689	2	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2)	118.9229	1.106	11	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2)	119.5966	0.574	5	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|C<4>}	O(CC[6a]2)	120.2713	1.265	9	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	120.2019	1.308	525	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|N<3>}	O(CC[6a]2)	120.6720	0.537	2	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|O<2>}	O(CC[6a]2)	118.7620	0.000	1	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<4>,2|C<3>}	O(CC[6a]2)	117.8370	0.167	2	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	118.3035	0.480	2	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|H<1>,2|C<3>}	O(CC[6a]2)	119.9107	0.904	15	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|N<2>,2|H<1>}	O(CC[6a]2)	119.8910	0.779	4	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){3|C<3>}	O(CC[6a]2)	119.4741	1.179	54	120.0999	1.663	667	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	O(CC[6a]2)	120.1780	0.000	1	120.1780	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.5900	0.000	1	119.5900	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CC[6a]O){4|C<3>}	O(CC[6a]2)	117.3610	0.000	1	117.3610	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]2)	121.0290	0.000	1	120.2935	1.082	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O){4|C<3>}	O(CC[6a]2)	119.5580	0.000	1	120.2935	1.082	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	O(CC[6a]2)	119.9610	0.000	1	119.5080	1.766	3	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){4|C<3>}	O(CC[6a]2)	119.2815	1.795	2	119.5080	1.766	3	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CC[6a]O){1|H<1>,3|C<3>}	O(CC[6a]2)	120.1640	0.173	2	120.1640	0.030	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|C<4>,3|C<3>}	O(CC[6a]2)	119.8010	0.000	1	119.5914	0.625	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	O(CC[6a]2)	119.7300	0.377	4	119.5914	0.625	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<3>,3|C<3>}	O(CC[6a]2)	119.3367	1.348	3	119.5914	0.625	8	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]O){1|C<3>,1|H<1>}	O(CC[6a]2)	118.2810	0.000	1	118.2810	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	120.6090	0.000	1	119.0313	5.343	10	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	118.8560	2.380	9	119.0313	5.343	10	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CC[6a]O){6|C<3>}	O(CC[6a]2)	120.1430	0.000	1	120.1430	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)(CC[6a]O){4|C<3>}	O(CC[6a]2)	120.3130	1.551	2	120.3130	2.407	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]N[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]N[6a]O)(CC[6a]O){4|C<3>}	O(CC[6a]2)	119.1090	0.000	1	119.1090	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O){1|N<2>,3|C<3>}	O(CC[6a]2)	118.4040	0.000	1	118.4040	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|N<2>}	O(CC[6a]2)	117.0317	0.273	3	117.0317	0.075	3	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	O(CC[6a]2)	117.2180	1.653	2	117.2180	2.733	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	O(CC[6a]2)	118.8850	0.000	2	118.8850	0.000	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]O[6a]C[3])(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]O[6a]C[3])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,3|C<3>,3|C<4>}	O(CC[6a]2)	120.0460	0.000	1	120.0460	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.5530	0.000	1	119.5530	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]2)	121.5820	0.000	1	121.5820	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	121.0700	0.000	1	121.0700	0.000	1	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	121.0915	1.367	29	120.9183	1.996	32	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|N<3>}	O(CC[6a]2)	119.2470	0.546	2	120.9183	1.996	32	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|N<2>,2|H<1>}	O(CC[6a]2)	119.2390	0.000	1	120.9183	1.996	32	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	121.4675	0.878	2	121.4675	0.770	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	O(CC[6a]2)	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	O(CC[6a]2)	119.4270	0.861	2	119.4270	0.742	2	120.0373	2.119	1468	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O){1|O<1>,2|C<3>}	O(CC[6a]2)	121.4960	0.000	1	121.4960	0.000	1	120.4725	2.095	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	O(CC[6a]2)	119.4490	0.000	1	119.4490	0.000	1	120.4725	2.095	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]2)	122.5640	0.000	1	122.5640	0.000	1	121.6900	1.528	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	O(CC[6a]2)	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]2)	120.8160	0.000	1	120.8160	0.000	1	121.6900	1.528	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	O(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|O<1>,4|C<3>}	O(CC[6a]2)	118.1870	0.000	1	118.1870	0.000	1	118.1870	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]2)(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]2)(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO){1|C<3>,4|C<4>,4|H<1>}	O(CC[6a]N)	120.9766	1.244	5	120.9766	1.547	5	120.9766	1.547	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NCC)(O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NCC)(O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CNO){1|H<1>,3|C<3>}	O(CC[6a]N)	118.3430	0.000	1	118.3430	0.000	1	120.3133	1.693	14	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>,3|C<4>}	O(CC[6a]N)	122.2810	0.000	1	122.2810	0.000	1	120.3133	1.693	14	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>,3|C<4>}	O(CC[6a]N)	121.2580	0.000	1	121.2580	0.000	1	120.3133	1.693	14	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NCO)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NCO)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(CC[6a]N)	121.6215	0.103	2	121.6215	0.011	2	120.3133	1.693	14	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(CC[6a]N)	119.2000	0.000	1	119.2000	0.000	1	120.3133	1.693	14	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]N)	120.9973	0.360	3	120.9973	0.130	3	120.3133	1.693	14	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a]Ni)(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC[6a]Ni)(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CNO){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	O(CC[6a]N)	119.0747	0.475	4	119.0747	0.226	4	120.3133	1.693	14	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,3|H<1>}	O(CC[6a]N)	120.7700	0.000	1	120.7700	0.000	1	120.3133	1.693	14	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NCC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NCC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]N)	123.5740	0.000	1	123.5740	0.000	1	121.1008	1.425	12	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	O(CC[6a]N)	119.6835	0.572	2	119.6835	0.327	2	121.1008	1.425	12	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	O(CC[6a]N)	120.0750	0.000	1	120.0750	0.000	1	121.1008	1.425	12	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	O(CC[6a]N)	121.7963	0.475	4	121.7963	0.225	4	121.1008	1.425	12	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,2|C<3>}	O(CC[6a]N)	121.1525	0.637	2	121.1525	0.406	2	121.1008	1.425	12	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]N)	120.3515	0.124	2	120.3515	0.015	2	121.1008	1.425	12	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	O(CC[6a]N)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	O(CC[6a]N)	122.8360	1.079	2	122.8360	1.164	2	122.8360	1.164	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(CNO){2|C<3>,2|C<4>,2|H<1>}	O(CC[6a]N)	121.3665	1.357	2	121.3665	1.841	2	121.0446	2.123	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|N<2>,1|O<1>,3|C<3>}	O(CC[6a]N)	118.8000	0.000	1	118.8000	0.000	1	121.0446	2.123	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]N)	121.5970	0.000	1	121.5970	0.000	1	121.0446	2.123	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NHO)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NHO)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]N)	122.0930	0.000	1	122.0930	0.000	1	121.0446	2.123	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]2)(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	O(CC[6a]N)	121.6403	0.569	6	121.6403	0.324	6	121.7071	0.737	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]2)(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	O(CC[6a]N)	120.9973	1.266	3	120.9973	1.602	3	121.7071	0.737	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	O(CC[6a]N)	122.1287	0.759	6	122.1287	0.576	6	121.7071	0.737	15	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	123.2175	0.271	2	123.2175	0.073	2	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]N)	118.3740	0.992	5	118.4124	0.603	16	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	118.4298	0.714	11	118.4124	0.603	16	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(CNO){1|N<3>,3|H<1>,4|C<3>}	O(CC[6a]N)	118.1445	0.834	4	118.1445	0.696	4	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]N)	117.6830	0.000	1	120.9294	5.070	16	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]N)	119.5870	1.078	2	120.9294	5.070	16	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]N)	117.5060	0.000	1	120.9294	5.070	16	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.7089	1.948	12	120.9294	5.070	16	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(CNO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]N)	117.6410	0.930	3	117.6410	0.865	3	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	117.3780	0.000	1	117.3780	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	117.3865	1.200	4	117.3865	1.441	4	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.1735	0.293	2	121.1735	0.086	2	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(CC[6a]N)	123.4660	0.000	1	122.5560	1.656	2	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.6460	0.000	1	122.5560	1.656	2	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]N)	119.2180	0.000	1	120.3145	2.405	2	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.4110	0.000	1	120.3145	2.405	2	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CNO){1|C<4>,3|C<3>}	O(CC[6a]N)	119.7810	0.000	1	119.7810	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CNO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]N)	121.0950	0.000	1	121.0950	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	123.0885	1.286	2	123.0885	1.654	2	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]N)	120.8990	0.000	1	120.8990	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	120.5613	0.896	4	120.5613	0.803	4	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]N)	120.4210	0.000	1	121.1764	0.704	7	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.3023	0.844	6	121.1764	0.704	7	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	119.2790	0.000	1	119.2790	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.0920	0.000	1	121.0920	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]N)	121.6850	0.000	1	121.5741	0.644	12	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	121.1240	0.000	1	121.5741	0.644	12	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.6080	0.873	10	121.5741	0.644	12	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]N)	120.6650	0.000	1	120.6650	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CNO){1|N<2>,4|C<3>}	O(CC[6a]N)	121.9800	0.000	1	121.9800	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]N)	122.4610	0.672	2	122.9110	0.833	3	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	123.8110	0.000	1	122.9110	0.833	3	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NPdC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NPdC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	120.1900	0.000	1	120.1900	0.000	1	120.2918	4.091	88	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	118.4630	0.000	1	118.4630	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]N)	119.1395	0.494	2	119.1395	0.244	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]N)	117.7935	0.117	2	117.7327	0.018	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]N)	117.6110	0.000	1	117.7327	0.018	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CNO){3|C<3>}	O(CC[6a]N)	119.7790	0.000	1	119.7790	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	119.4395	0.863	2	119.4395	0.745	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CNO){2|C<3>}	O(CC[6a]N)	118.4130	0.000	1	118.4130	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]N)	119.4440	0.000	1	119.4440	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|I<1>,2|C<3>}	O(CC[6a]N)	117.7870	0.000	1	117.7870	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	117.8670	0.969	4	117.8670	0.939	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]N)	119.3880	0.349	2	118.5518	1.170	19	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]N)	119.1335	1.508	2	118.5518	1.170	19	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	117.4945	0.438	4	118.5518	1.170	19	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	118.6785	1.066	11	118.5518	1.170	19	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	117.7060	1.421	3	117.7060	2.019	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)2(CNO){7|C<3>}	O(CC[6a]N)	120.2180	0.000	1	120.2180	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CNO){5|C<3>}	O(CC[6a]N)	117.9710	0.000	1	117.9710	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.8230	0.000	1	120.8230	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)2(CNO){3|C<3>}	O(CC[6a]N)	117.5720	0.000	1	117.5720	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	118.4785	1.415	2	119.0915	1.590	18	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	120.1940	0.000	1	119.0915	1.590	18	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.3473	1.182	13	119.0915	1.590	18	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	117.4905	0.558	2	119.0915	1.590	18	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	119.7750	0.000	1	119.3173	1.560	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.4590	0.000	1	119.3173	1.560	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.0175	0.189	2	119.3173	1.560	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	116.6190	1.058	2	116.6190	1.119	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.0750	0.000	1	120.0750	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CNO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	O(CC[6a]N)	116.5100	0.000	1	116.5100	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(CNO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	O(CC[6a]N)	119.1100	0.000	1	119.1100	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])2(CNO){1|C<3>,2|N<3>,2|O<2>,4|H<1>}	O(CC[6a]N)	118.9070	0.000	1	118.9070	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	118.5215	0.260	2	118.5215	0.067	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.4130	0.000	1	122.4130	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	119.1720	0.000	1	119.4988	0.992	12	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	118.2860	0.000	1	119.4988	0.992	12	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.6527	1.006	10	119.4988	0.992	12	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	117.5560	0.000	1	119.0918	0.990	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.6545	0.521	4	119.0918	0.990	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	118.3770	0.000	1	119.0918	0.990	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.3620	1.043	3	119.3620	1.088	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|B<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.8690	0.000	1	118.7235	2.349	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	118.0083	0.674	3	118.7235	2.349	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	118.5160	0.586	10	118.5160	0.343	10	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	119.7690	0.254	3	120.3727	4.142	61	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	120.8780	0.000	1	120.3727	4.142	61	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.5573	2.125	51	120.3727	4.142	61	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	118.4887	0.509	3	120.3727	4.142	61	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	118.5320	0.000	1	120.3727	4.142	61	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.6100	0.000	1	120.3727	4.142	61	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	118.5210	0.000	1	120.3727	4.142	61	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]N)	119.5220	1.144	2	119.5220	1.309	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.7048	0.207	4	118.7048	0.043	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	118.9740	0.000	1	118.9740	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CNO){2|O<2>,3|C<3>}	O(CC[6a]N)	120.9640	0.000	1	120.9640	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	121.3510	0.000	1	121.3510	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|N<2>}	O(CC[6a]N)	120.4810	0.000	1	120.9230	0.318	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]N)	120.3970	0.000	1	120.9230	0.318	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	121.4910	0.000	1	120.9230	0.318	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]N)	121.3230	0.000	1	120.9230	0.318	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]N)	121.4230	0.639	2	121.4230	0.409	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	123.7940	1.730	2	123.7940	2.991	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	121.6856	0.762	7	121.6856	0.580	7	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	119.2600	0.000	1	119.2600	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.4794	1.147	10	121.4794	1.316	10	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	O(CC[6a]N)	119.7024	0.483	11	119.7024	0.233	11	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|F<1>,1|H<1>,3|C<3>}	O(CC[6a]N)	118.5920	0.000	1	120.5779	1.623	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	120.8261	1.105	8	120.5779	1.623	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CNO){1|H<1>,3|C<3>}	O(CC[6a]N)	119.7242	0.168	4	119.7242	0.028	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	121.3042	0.375	5	121.9432	11.680	11	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.4757	4.743	6	121.9432	11.680	11	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2267	1.280	62	121.2316	1.614	63	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.5320	0.000	1	121.2316	1.614	63	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.6435	0.872	4	121.6435	0.761	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.7633	3.889	3	119.7633	15.121	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]N)	119.2325	0.292	2	121.0007	4.869	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]N)	122.7690	1.420	2	121.0007	4.869	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	120.0950	0.000	1	120.0950	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.0170	0.995	24	122.0170	0.990	24	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2720	0.000	1	120.2720	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.6704	0.812	13	121.6704	0.659	13	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	120.3190	0.000	1	121.1916	0.563	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3006	0.722	8	121.1916	0.563	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	120.4680	0.557	12	120.8300	0.492	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2248	0.642	11	120.8300	0.492	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	121.4570	0.025	2	121.6425	7.493	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7352	3.529	4	121.6425	7.493	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	121.3333	1.162	7	121.3091	1.169	35	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	119.7170	0.000	1	121.3091	1.169	35	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3920	1.066	26	121.3091	1.169	35	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	120.5770	0.000	1	121.3091	1.169	35	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|N<3>}	O(CC[6a]N)	119.6327	0.079	3	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.6125	0.479	2	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	119.5665	1.754	2	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.2225	0.586	4	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	119.5378	0.317	5	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	121.0960	0.199	4	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.4072	0.499	42	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.8287	0.875	6	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,1|N<3>,1|O<1>}	O(CC[6a]N)	119.4685	0.793	2	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.6843	1.107	3	120.3463	0.470	73	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.5795	1.108	2	122.5795	1.228	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]N)	119.1310	1.882	7	119.5042	2.729	11	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.1573	1.059	4	119.5042	2.729	11	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.8167	0.504	13	120.6819	0.273	21	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){2|C<3>}	O(CC[6a]N)	120.4629	0.507	8	120.6819	0.273	21	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	120.5690	0.000	1	120.5690	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.4980	0.000	1	120.4980	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.0460	0.000	1	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]N)	119.3560	0.000	1	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	121.4134	1.215	7	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	120.9107	0.447	3	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]N)	120.5180	0.000	1	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.7470	0.596	31	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.2967	0.972	6	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|P<4>}	O(CC[6a]N)	119.9728	1.186	4	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	120.4514	0.325	5	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	119.6380	0.599	5	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3254	0.969	570	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	119.9680	1.016	49	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	121.3760	0.986	15	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	120.8345	0.918	39	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	122.0501	0.572	14	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.9194	0.836	95	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|I<1>,2|C<3>}	O(CC[6a]N)	120.9180	0.037	2	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	120.4156	0.522	27	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|N<3>}	O(CC[6a]N)	120.4030	0.031	2	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<3>,2|C<3>}	O(CC[6a]N)	120.4720	0.000	1	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|O<2>,2|C<3>}	O(CC[6a]N)	120.6485	0.412	6	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){2|Cl<1>,1|C<3>}	O(CC[6a]N)	120.0275	0.026	2	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	O(CC[6a]N)	120.5003	0.927	48	121.0806	1.020	934	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	119.6715	0.523	2	119.6715	0.273	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]N)	118.6670	0.000	1	118.6670	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	119.6210	0.330	3	119.6210	0.109	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]N)	122.0140	0.000	1	122.0140	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CNO){4|C<3>}	O(CC[6a]N)	119.7770	0.000	1	119.7770	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.9480	0.000	1	121.9480	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.2780	0.537	2	119.2780	0.289	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.2390	0.000	1	121.8280	0.338	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	121.4170	0.000	1	121.8280	0.338	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	119.8500	0.000	1	119.8500	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.3210	0.000	1	118.3210	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.7465	0.989	2	118.7465	0.979	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	120.0080	0.000	1	120.0080	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	120.4813	0.975	3	120.7813	0.937	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.8505	1.036	18	120.7813	0.937	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.6085	0.230	2	120.7813	0.937	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	123.0120	1.493	2	123.0120	2.230	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.4000	0.000	1	122.4000	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3,6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3,6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.5770	0.000	1	119.5770	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.1430	0.000	1	120.1430	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	118.1190	0.000	2	118.1190	0.000	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	120.2470	0.000	1	120.2470	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.4363	1.105	3	122.4363	1.222	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.1120	0.296	2	120.1120	0.087	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.0100	0.947	4	121.5667	1.346	7	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	121.7395	0.220	2	121.5667	1.346	7	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	119.4480	0.000	1	121.5667	1.346	7	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[4]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[4]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.9260	0.901	2	121.9260	0.812	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[4]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[4]O)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2640	0.000	1	120.2640	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.5577	0.860	7	121.5577	0.740	7	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	120.2640	0.000	1	120.2640	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	120.7560	1.468	2	120.1034	2.287	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.8723	2.235	3	120.1034	2.287	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	119.2005	0.299	4	120.1034	2.287	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	121.4120	0.101	3	121.4120	0.010	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.1043	0.726	4	120.1043	0.527	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.8870	0.000	1	119.8870	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.3660	0.000	1	120.3660	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.4120	0.000	1	121.5578	0.588	51	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.6242	0.743	47	121.5578	0.588	51	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.8990	0.774	3	121.5578	0.588	51	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Hg)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Hg)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.0335	0.148	2	121.0335	0.022	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.0930	0.000	1	122.0930	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.5360	1.660	2	121.5360	2.757	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3960	1.558	11	121.3960	2.426	11	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO){2|C<3>}	O(CC[6a]N)	122.3965	0.349	2	122.3965	0.122	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.9630	0.000	1	121.9630	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.6310	0.676	2	122.6310	0.457	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.1977	0.866	6	122.1977	0.750	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	121.0870	0.000	1	121.8113	1.007	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.0527	1.077	3	121.8113	1.007	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.8700	0.000	1	123.8700	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7930	0.830	5	121.7930	0.689	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	122.3325	0.204	2	122.6585	2.433	10	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.7400	1.756	8	122.6585	2.433	10	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.8890	0.000	1	120.8890	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	121.5900	0.585	2	122.1048	0.623	28	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.2652	0.793	22	122.1048	0.623	28	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	121.2060	0.000	1	122.1048	0.623	28	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.4520	0.000	1	122.1048	0.623	28	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.6315	0.688	2	122.1048	0.623	28	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	122.0270	0.000	1	122.0270	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.3760	0.000	1	118.3760	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.5170	0.000	1	121.5170	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]Br)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]Br)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	118.5840	0.000	1	118.5840	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.3170	0.212	2	117.0040	0.316	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	116.3780	0.000	1	117.0040	0.316	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CNO){1|Br<1>,2|C<3>}	O(CC[6a]N)	119.9160	0.000	1	119.9160	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	118.5390	0.000	1	118.5390	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.8680	0.445	2	123.8680	0.198	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.9200	0.000	1	118.9200	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	122.4400	0.000	1	122.4400	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	119.4405	0.301	2	121.3563	2.638	20	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7051	1.504	17	121.3563	2.638	20	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	119.2570	0.000	1	121.3563	2.638	20	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.1230	0.000	1	120.1230	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.1710	0.000	1	121.1710	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	O(CC[6a]N)	120.2700	0.000	1	120.2700	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.6150	0.206	2	121.6150	0.043	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.3470	0.000	1	121.3470	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.1150	0.000	1	122.1150	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.4580	0.000	1	121.4580	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.7440	0.000	1	122.7440	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3770	0.000	1	121.8005	0.359	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	122.2240	0.000	1	121.8005	0.359	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.4250	0.000	1	119.4250	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.3510	0.000	1	122.3510	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]N)	120.3680	0.000	1	120.2837	0.072	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2415	0.364	2	120.2837	0.072	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7300	0.671	3	121.1393	0.746	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	119.9430	0.000	1	121.1393	0.746	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.8515	0.435	2	121.1393	0.746	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.6215	0.315	2	120.6215	0.099	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.1995	0.483	2	120.1995	0.233	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.9570	0.000	1	120.9570	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.1830	0.000	1	119.1830	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.9010	0.000	1	119.9010	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	120.6995	1.073	2	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3058	0.857	76	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	119.6550	0.000	1	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	121.1780	0.887	2	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	121.0720	1.021	2	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.1250	0.000	1	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.0358	0.613	5	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	120.9433	0.689	4	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|O<2>,2|C<3>}	O(CC[6a]N)	121.2690	0.000	1	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	O(CC[6a]N)	120.6185	1.597	4	121.2001	0.777	98	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]N)	120.7685	0.535	2	120.7685	0.287	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]O)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3170	0.000	1	121.3170	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ir)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ir)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	123.7490	0.000	1	123.7490	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]O)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]O)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,3|H<1>}	O(CC[6a]N)	119.3570	0.000	1	119.3570	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]O)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.1240	0.626	2	120.1240	0.392	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	118.9870	0.000	1	118.9870	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.9080	0.916	4	119.9080	0.840	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.6685	0.095	2	119.6685	0.009	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.9700	0.981	6	120.9700	0.963	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.7265	0.773	2	118.7265	0.597	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	118.0690	0.000	1	118.0690	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO){2|C<3>}	O(CC[6a]N)	119.8420	0.000	1	119.8420	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.2060	1.002	3	121.2060	1.005	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	119.9190	0.000	1	119.9190	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.6625	1.276	6	120.6625	1.629	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]N)	121.4345	2.248	2	121.4345	5.053	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2770	0.000	1	120.2770	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	120.0670	0.563	3	120.0670	0.317	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.3420	0.884	6	120.3420	0.781	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.5687	1.637	3	120.3690	1.243	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.9410	0.542	5	120.3690	1.243	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.9100	0.000	1	120.3690	1.243	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|C<4>}	O(CC[6a]N)	119.2873	0.689	6	119.1308	0.364	16	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	119.0553	0.613	8	119.1308	0.364	16	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.9635	0.448	2	119.1308	0.364	16	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	118.1480	0.000	1	119.3234	0.522	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.6172	0.347	4	119.3234	0.522	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.9860	0.000	1	119.9860	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.1090	0.000	1	119.1090	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	118.6650	0.181	2	118.6650	0.033	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	119.3530	0.000	1	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<2>,1|C<3>,1|N<3>}	O(CC[6a]N)	120.5588	0.635	6	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	118.8830	0.000	1	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.4935	0.183	2	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|N<2>,1|N<3>}	O(CC[6a]N)	121.4410	0.096	2	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.0283	1.360	100	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	120.3280	1.175	26	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	119.5060	0.000	1	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.8824	1.221	12	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<3>,2|C<3>}	O(CC[6a]N)	121.2370	0.953	3	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|O<2>,2|C<3>}	O(CC[6a]N)	118.0152	0.565	4	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	O(CC[6a]N)	120.4045	0.932	12	120.2326	1.865	170	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){2|Cl<1>,1|C<3>}	O(CC[6a]N)	119.3070	0.000	1	119.3070	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cl)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cl)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2330	0.187	2	121.2330	0.035	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.8465	0.285	2	119.8465	0.081	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(O)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(O)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.2623	1.330	3	123.2623	1.769	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.5105	0.530	2	117.5105	0.281	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.1970	1.417	2	117.1970	2.008	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]N)	122.3150	0.000	1	122.3150	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	121.8085	1.030	2	121.8085	1.061	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.5404	0.987	14	121.5404	0.973	14	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	119.8530	0.000	1	121.6720	6.618	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|N<3>,2|C<3>}	O(CC[6a]N)	123.4910	0.000	1	121.6720	6.618	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	O(CC[6a]N)	119.7341	0.685	8	119.7341	0.470	8	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CNO){2|C<3>}	O(CC[6a]N)	121.1300	0.000	1	121.1300	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	120.3727	0.148	3	120.3727	0.022	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO){2|C<3>}	O(CC[6a]N)	120.9211	0.379	18	120.9211	0.144	18	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]N)	121.2785	1.144	6	121.1893	1.194	13	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.1129	1.132	7	121.1893	1.194	13	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)2(CNO){2|H<1>,5|C<3>}	O(CC[6a]N)	122.2435	1.001	2	122.2435	1.001	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	122.1570	0.000	1	122.1570	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Br)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Br)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.7135	0.590	2	120.7135	0.349	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	121.2590	0.000	1	121.2590	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.5710	0.117	2	121.1807	1.207	46	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.8373	1.264	3	121.1807	1.207	46	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.1624	1.107	41	121.1807	1.207	46	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.9840	1.059	5	120.9840	1.122	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.4500	0.717	4	122.4500	0.514	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]N)	121.6745	0.177	2	121.6745	0.032	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	122.1770	0.000	1	120.8918	0.933	21	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.8276	0.944	20	120.8918	0.933	21	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO){2|Cl<1>,1|C<3>}	O(CC[6a]N)	119.4125	0.213	2	119.4125	0.045	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2638	0.510	4	121.2638	0.260	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	120.1818	0.542	9	120.1674	0.439	35	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|I<1>}	O(CC[6a]N)	118.8500	0.025	2	120.1674	0.439	35	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	119.6920	0.000	1	120.1674	0.439	35	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2970	0.620	23	120.1674	0.439	35	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	120.2255	0.777	11	120.3559	0.535	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.4753	0.698	12	120.3559	0.535	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3248	1.334	5	121.3248	1.781	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	118.4890	0.839	2	120.6028	1.731	67	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.0102	1.093	4	120.6028	1.731	67	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	119.9010	1.102	5	120.6028	1.731	67	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]N)	119.2260	1.130	2	120.6028	1.731	67	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.8721	0.510	7	120.6028	1.731	67	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.7726	1.221	45	120.6028	1.731	67	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	118.7695	0.876	2	120.6028	1.731	67	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]N)	120.3347	0.779	3	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.3575	0.862	22	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	120.2256	0.562	16	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]N)	120.2610	0.582	6	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.5342	1.090	29	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.7226	0.460	7	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,1|N<3>,1|O<1>}	O(CC[6a]N)	120.5205	0.021	2	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.4248	0.591	16	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|N<2>,2|C<3>}	O(CC[6a]N)	119.4625	1.785	2	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|N<3>,2|C<3>}	O(CC[6a]N)	120.5240	0.546	2	120.4038	0.675	105	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.1500	0.546	2	121.1500	0.298	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]N)	121.7766	1.356	7	121.1950	1.210	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.0283	0.860	15	121.1950	1.210	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	119.6240	0.000	1	121.1950	1.210	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.0068	0.761	37	120.0068	0.579	37	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.5976	0.538	11	119.5976	0.290	11	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.2865	0.957	4	119.8392	1.291	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.9445	0.203	2	119.8392	1.291	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.0220	0.638	2	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<2>,2|C<3>}	O(CC[6a]N)	122.0610	1.911	2	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	121.1587	1.200	55	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	120.9612	0.317	24	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]N)	120.2217	0.743	3	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.8790	0.661	14	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.8830	0.788	7	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|P<3>}	O(CC[6a]N)	120.3320	0.000	1	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	O(CC[6a]N)	121.9073	0.759	4	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	120.3783	0.521	3	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.1087	0.700	397	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	119.2922	0.449	4	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	121.2206	0.788	12	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	121.4163	0.836	16	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.9310	0.620	8	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.0373	0.683	28	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	120.3044	0.675	29	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<3>,2|C<3>}	O(CC[6a]N)	120.9445	0.338	8	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|O<2>,2|C<3>}	O(CC[6a]N)	120.4178	1.601	5	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	O(CC[6a]N)	120.8816	1.391	10	121.0548	0.658	632	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.1160	0.187	2	120.1160	0.035	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	120.6325	0.142	2	120.6325	0.020	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]N)	121.0730	0.000	1	121.0730	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7070	0.000	1	121.7070	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	123.1005	0.291	2	123.1005	0.084	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.5035	1.689	4	119.5035	2.854	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.2950	0.000	1	120.2950	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.6650	0.000	1	121.6650	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	121.4775	0.889	2	121.7640	0.331	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.9550	0.361	3	121.7640	0.331	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	119.7850	0.000	1	119.7850	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.6371	0.815	19	120.6371	0.664	19	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]N)	119.9450	0.000	1	119.9450	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mn)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.6490	0.953	2	119.6490	0.909	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]N)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]N)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	121.9410	0.000	1	121.9410	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.4382	0.554	18	117.4382	0.307	18	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.6628	0.996	6	117.6628	0.993	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.3930	1.056	4	123.3930	1.115	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	120.9190	1.489	2	120.9190	2.218	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.6420	0.000	1	120.6420	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.7190	0.000	1	120.7190	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	120.6300	0.000	1	121.6017	0.849	7	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7637	0.894	6	121.6017	0.849	7	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Os)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Os)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.2650	0.359	2	119.2650	0.129	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Os)(O)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Os)(O)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	126.8180	0.000	1	126.8180	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.8100	0.000	1	117.8100	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	123.7660	0.000	1	123.0685	0.973	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.3710	0.000	1	123.0685	0.973	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	116.5550	0.000	1	116.5550	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(O)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(O)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	123.6710	0.000	1	123.6710	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.1950	0.000	1	123.1950	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.9990	0.399	2	121.9990	0.159	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.2795	0.144	2	122.2795	0.021	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NClC)(O)	C[6a](C[6a]C[6a]C)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NClC)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.0750	0.000	1	120.0750	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	119.3173	0.717	4	118.5030	2.055	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	116.8745	0.882	2	118.5030	2.055	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2340	1.732	2	120.2340	3.001	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	117.8280	0.000	1	117.5260	0.182	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.2240	0.000	1	117.5260	0.182	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	118.2470	0.784	4	118.2470	0.614	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.8560	0.000	1	120.8560	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.4123	0.466	4	120.4123	0.217	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	O(CC[6a]N)	119.9875	0.384	2	119.9875	0.147	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	119.6329	0.396	22	119.6329	0.157	22	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CNO){2|C<3>}	O(CC[6a]N)	119.2680	0.000	1	119.2680	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	O(CC[6a]N)	119.2930	0.000	1	119.2930	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.0880	0.000	1	122.0880	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	119.3650	0.000	1	120.6680	1.375	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.8265	1.186	2	120.6680	1.375	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.6540	0.000	1	120.6680	1.375	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7570	0.000	1	121.7570	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.5010	0.000	1	120.5010	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.9040	0.000	1	120.9040	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<2>,1|C<3>}	O(CC[6a]N)	118.4010	0.000	1	118.4010	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.6440	0.000	1	119.6440	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	120.0963	1.211	3	119.9638	1.048	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.5660	0.000	1	119.9638	1.048	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.8860	2.099	2	119.8860	4.405	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	121.4410	0.000	1	121.0057	0.620	27	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.0054	0.810	25	121.0057	0.620	27	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|N<3>}	O(CC[6a]N)	120.5780	0.000	1	121.0057	0.620	27	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	119.4050	0.000	1	119.3389	0.785	54	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	119.5010	0.000	1	119.3389	0.785	54	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.3160	0.902	51	119.3389	0.785	54	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Se<3>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.2780	0.000	1	119.3389	0.785	54	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.4435	0.260	2	119.4435	0.067	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.5995	0.608	108	119.5995	0.369	108	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.2160	0.000	1	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	120.5311	1.217	11	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	119.8683	0.904	4	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	120.2900	0.000	1	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.9396	0.680	128	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	119.3626	0.852	9	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	120.2970	0.000	1	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.3280	0.470	2	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	119.3490	0.800	191	119.6235	0.700	348	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.4000	0.000	1	121.4000	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.7010	0.000	1	120.7010	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.5550	0.000	1	119.5550	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	119.6815	0.463	2	119.6815	0.215	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	122.3388	0.839	8	122.3388	0.704	8	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]N)	121.3840	0.270	2	121.3840	0.073	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	122.1200	0.000	1	122.1200	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	120.9640	0.335	2	120.9640	0.112	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.5323	0.808	18	121.5323	0.654	18	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	O(CC[6a]N)	120.8415	0.707	8	120.8415	0.500	8	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	122.2528	0.396	4	122.2528	0.157	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO){2|C<3>}	O(CC[6a]N)	122.4730	0.000	1	122.4730	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.9337	0.383	6	121.9337	0.147	6	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CNO){2|H<1>,3|C<3>}	O(CC[6a]N)	121.8050	0.000	1	121.8050	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.5367	1.319	12	121.6151	1.516	14	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.0850	0.226	2	121.6151	1.516	14	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.7432	1.292	13	122.5931	1.857	14	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	120.6420	0.000	1	122.5931	1.857	14	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.4540	1.125	23	122.4540	1.265	23	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.6275	0.786	2	120.6275	0.617	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.6458	0.876	9	121.6458	0.768	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.3130	0.000	1	122.3130	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.4276	1.293	40	122.4276	1.672	40	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	122.1150	0.000	1	121.4278	0.556	137	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	122.1420	0.758	10	121.4278	0.556	137	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	121.6580	0.000	1	121.4278	0.556	137	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.3460	0.326	4	121.4278	0.556	137	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3639	0.731	121	121.4278	0.556	137	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.4820	0.000	1	121.4820	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|Br<1>,1|C<3>}	O(CC[6a]N)	120.3433	0.518	3	121.0326	0.426	69	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	121.0640	0.644	66	121.0326	0.426	69	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.5914	0.705	12	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	122.1393	0.965	7	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.9866	0.857	12	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	121.7379	0.721	32	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	121.1140	0.000	1	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.8559	0.951	403	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	O(CC[6a]N)	120.8623	0.524	3	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	121.9630	0.990	45	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	121.8755	0.814	13	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	O(CC[6a]N)	121.9530	0.594	10	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	120.8672	0.872	305	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	O(CC[6a]N)	121.3423	1.590	3	121.4822	1.048	846	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]N)	122.3678	0.415	5	122.3678	0.172	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	122.7508	1.282	5	122.7508	1.644	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	120.8890	0.000	1	120.8890	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	O(CC[6a]N)	121.6460	0.000	1	121.6460	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	119.8350	0.000	1	120.8690	2.138	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.9030	0.000	1	120.8690	2.138	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.4520	0.000	1	123.4520	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.2010	0.000	1	120.2010	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]N)	122.2130	0.000	1	122.9315	1.032	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){2|Cl<1>,1|C<3>}	O(CC[6a]N)	123.6500	0.000	1	122.9315	1.032	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2137	0.673	3	121.2137	0.452	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	121.8730	0.000	1	121.9494	1.088	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.4510	0.915	2	121.9494	1.088	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	123.5900	0.000	1	121.9494	1.088	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	121.3820	0.000	1	121.9494	1.088	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.3309	0.542	8	121.3309	0.294	8	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.2673	0.644	3	122.2673	0.415	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.0496	0.476	14	121.0496	0.226	14	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7080	0.000	1	121.7080	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N)	121.1250	0.404	3	120.9416	1.175	16	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	O(CC[6a]N)	120.4110	0.000	1	120.9416	1.175	16	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.9399	1.240	12	120.9416	1.175	16	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	123.6160	0.000	1	123.6160	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	122.4570	0.000	1	122.4570	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	123.2452	0.217	4	123.3328	0.162	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.4028	0.524	5	123.3328	0.162	9	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.2330	0.000	1	122.2330	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]N)	125.5420	0.000	1	125.5420	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	124.4505	1.099	4	124.4505	1.208	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	124.2780	0.000	1	124.2780	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.6570	0.093	2	122.6570	0.009	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N)	124.0300	0.979	4	123.0114	1.118	49	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N)	123.6063	0.663	3	123.0114	1.118	49	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	122.5385	0.626	8	123.0114	1.118	49	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.1251	0.670	27	123.0114	1.118	49	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	122.2760	2.015	7	123.0114	1.118	49	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NIrH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	114.6860	0.000	1	114.6860	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrH)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NIrH)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.8790	0.000	1	122.8790	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NIrO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.0370	0.000	1	123.0370	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.7925	0.175	2	117.7925	0.031	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.4902	0.744	5	121.4902	0.554	5	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5]Fe)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5]Fe)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.8700	0.000	1	121.8700	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.6880	0.000	1	123.6880	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	122.6840	0.000	1	122.6840	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|S<4>}	O(CC[6a]N)	120.9438	0.506	5	122.0524	1.599	20	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.3891	1.269	14	122.0524	1.599	20	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	O(CC[6a]N)	122.8810	0.000	1	122.0524	1.599	20	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.7680	0.000	1	123.7680	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.5410	0.000	1	122.5410	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.7010	0.733	14	122.7010	0.538	14	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.9223	0.948	3	120.9223	0.899	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6]Co)(O)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6]Co)(O)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	125.0670	0.000	1	125.0670	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	125.4610	0.000	1	125.4610	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.1710	0.973	7	122.1384	0.855	10	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N)	122.2110	0.000	1	122.1384	0.855	10	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	121.9880	1.397	2	122.1384	0.855	10	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.8500	0.000	1	122.8500	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	O(CC[6a]N)	122.3920	0.000	1	122.3920	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.1850	0.003	2	122.2900	1.105	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	O(CC[6a]N)	121.3950	0.332	2	122.2900	1.105	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.9080	0.000	1	119.9080	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	118.3710	0.867	2	118.3710	0.752	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NNiH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.8285	0.373	2	117.8285	0.139	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NNiH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.6535	0.588	2	117.6535	0.345	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.7090	0.000	1	119.7090	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiP)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NNiP)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.5880	0.000	1	119.5880	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NOO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NOO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	123.7648	0.774	4	123.7648	0.599	4	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NP[3x6]Pd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NP[3x6]Pd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	125.3440	0.000	1	125.3440	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NP[6]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NP[6]H)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2640	0.000	1	121.2640	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPd2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NPd2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	115.0100	1.154	2	115.0100	1.332	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	115.4860	0.000	1	115.4860	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.5855	0.040	2	119.5855	0.002	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdO)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NPdO)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	124.1105	0.705	2	124.1105	0.497	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.1060	0.000	1	119.1060	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NPtH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	118.4400	0.837	2	118.4400	0.701	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NPtO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.6295	1.112	2	120.6295	1.237	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.5750	0.000	1	119.5750	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	115.9020	0.000	1	115.9020	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.7930	0.000	1	121.7930	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NReH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	119.4930	0.000	1	119.4930	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRh2)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NRh2)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	124.7630	0.000	1	124.7630	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRhO)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NRhO)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.2280	0.000	1	122.2280	0.000	1	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NRuH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.4190	0.529	2	117.4190	0.280	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSiH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NSiH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	O(CC[6a]N)	120.5045	0.508	2	120.5045	0.258	2	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	117.4850	0.547	3	117.4850	0.299	3	120.9004	1.798	5360	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]N)	120.1780	0.406	2	120.1780	0.165	2	120.3043	0.130	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO){1|C<4>,1|O<1>,3|C<3>}	O(CC[6a]N)	120.5570	0.000	1	120.5570	0.000	1	120.3043	0.130	3	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[3]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[3]C[3]2)(O)	C[6a](C[6a]C[6a]H)2(CN[3]O)	O(CC[6a]N[3])	C(C[6a]C[6a]2)(N[3]C[3]2)(O)	C[6a](C[6a]C[6a]H)2(CN[3]O){1|C<3>,2|H<1>}	O(CC[6a]N[3])	122.1060	0.000	1	122.1060	0.000	1	122.1060	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[4]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)2(CN[4]O)	O(CC[6a]N[4])	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)2(CN[4]O){1|C<3>,2|H<1>}	O(CC[6a]N[4])	121.6124	0.792	9	121.6124	0.628	9	121.6124	0.628	9	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(N[5]C[5]O[5])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a,6a]2)(N[5]C[5]O[5])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]O){2|H<1>,5|C<3>}	O(CC[6a]N[5])	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,5,6]S[5])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,5,6]S[5])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CN[5]O){1|H<1>,4|C<3>}	O(CC[6a]N[5])	121.9463	0.775	3	121.9463	0.601	3	120.0586	1.886	27	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]O){2|H<1>,3|C<3>}	O(CC[6a]N[5])	121.0900	0.000	1	121.0900	0.000	1	120.0586	1.886	27	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]O){2|H<1>,3|C<3>}	O(CC[6a]N[5])	119.5803	1.294	19	119.5803	1.675	19	120.0586	1.886	27	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]O){2|H<1>,3|C<3>}	O(CC[6a]N[5])	120.6573	0.218	4	120.6573	0.047	4	120.0586	1.886	27	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CN[5]O){2|C<3>}	O(CC[6a]N[5])	122.5840	0.000	1	122.5840	0.000	1	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CN[5]O){2|C<3>}	O(CC[6a]N[5])	119.0240	0.000	1	119.0240	0.000	1	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]O){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]N[5])	122.2875	0.141	2	121.7085	0.556	4	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]O){2|H<1>,3|C<3>}	O(CC[6a]N[5])	121.1295	0.555	2	121.7085	0.556	4	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	121.2521	0.874	11	121.2521	0.763	11	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	119.3890	0.000	1	119.3890	0.000	1	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5]O){1|C<3>,2|O<2>}	O(CC[6a]N[5])	120.6090	0.000	1	120.6090	0.000	1	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	122.0190	0.532	2	122.0190	0.283	2	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N[5])	120.7760	0.000	1	120.7373	0.338	32	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.7479	0.597	30	120.7373	0.338	32	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N[5])	120.3820	0.000	1	120.7373	0.338	32	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]O){1|C<3>,1|H<1>}	O(CC[6a]N[5])	121.7503	0.701	6	121.7503	0.491	6	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N[5])	119.8840	0.000	1	120.6848	2.215	93	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N[5])	119.9988	0.993	5	120.6848	2.215	93	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.8147	1.467	81	120.6848	2.215	93	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|N<3>}	O(CC[6a]N[5])	119.3450	1.968	4	120.6848	2.215	93	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|O<2>}	O(CC[6a]N[5])	121.6540	0.000	1	120.6848	2.215	93	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N[5])	118.7790	0.000	1	120.6848	2.215	93	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN[5]O){1|C<3>,1|H<1>}	O(CC[6a]N[5])	123.4160	0.129	2	123.4160	0.017	2	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]N)2(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]N)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.0835	0.463	2	120.0835	0.215	2	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN[5]O){2|H<1>,3|C<3>}	O(CC[6a]N[5])	120.0630	0.000	1	120.0630	0.000	1	120.8350	1.700	157	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O){2|H<1>,3|C<3>}	O(CC[6a]N[5a])	124.7900	0.000	1	124.7900	0.000	1	124.8140	0.162	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O){2|H<1>,3|C<3>}	O(CC[6a]N[5a])	124.5835	0.650	2	124.5835	0.422	2	124.8140	0.162	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O){2|H<1>,3|C<3>}	O(CC[6a]N[5a])	125.0565	0.056	2	125.0565	0.003	2	124.8140	0.162	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	122.3265	0.507	2	122.3265	0.257	2	121.8227	1.228	4	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	120.2210	0.000	1	120.2210	0.000	1	121.8227	1.228	4	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	122.4170	0.000	1	122.4170	0.000	1	121.8227	1.228	4	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]O){2|H<1>,5|C<3>}	O(CC[6a]N[6])	118.9730	0.000	1	118.9730	0.000	1	118.9730	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]O){2|H<1>,3|C<3>}	O(CC[6a]N[6])	120.2220	0.000	1	120.2220	0.000	1	119.5715	0.846	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]O){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]N[6])	118.9210	0.000	1	118.9210	0.000	1	119.5715	0.846	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CN[6]O){1|C<3>,1|N<2>,1|N<3>}	O(CC[6a]N[6])	118.8530	0.208	2	118.8530	0.043	2	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[6]O){1|C<3>,1|N<2>,1|N<3>}	O(CC[6a]N[6])	118.3990	0.308	2	118.3990	0.095	2	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN[6]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]N[6])	119.5730	0.325	3	119.5730	0.106	3	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[6]O){1|O<2>,2|C<3>}	O(CC[6a]N[6])	120.8780	0.000	1	120.8780	0.000	1	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.0650	0.000	1	119.0650	0.000	1	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.6463	0.912	3	119.6463	0.832	3	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.0780	0.165	2	118.4470	1.208	3	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|N<3>}	O(CC[6a]N[6])	117.1850	0.000	1	118.4470	1.208	3	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	118.8560	0.000	1	118.8560	0.000	1	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|F<1>}	O(CC[6a]N[6])	118.8350	0.000	1	119.5677	0.748	3	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.9340	0.832	2	119.5677	0.748	3	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]F)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	118.4905	0.453	2	118.4905	0.205	2	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.0770	0.669	2	119.0770	0.447	2	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	123.1250	0.083	2	123.1250	0.007	2	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.2865	0.842	2	119.2865	0.709	2	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	120.4045	0.803	2	120.4045	0.644	2	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]O){1|C<3>,1|H<1>}	O(CC[6a]N[6])	117.8010	0.000	1	117.8010	0.000	1	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N[6])	118.5420	0.000	1	119.7187	2.033	83	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]N[6])	119.6190	0.395	2	119.7187	2.033	83	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.8637	1.425	74	119.7187	2.033	83	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|N<3>}	O(CC[6a]N[6])	117.6260	0.000	1	119.7187	2.033	83	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|H<1>,2|C<3>}	O(CC[6a]N[6])	118.0790	0.000	1	119.7187	2.033	83	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|N<2>,2|H<1>}	O(CC[6a]N[6])	118.3132	0.371	4	119.7187	2.033	83	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN[6]O)	O(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|C<4>,2|N<3>}	O(CC[6a]N[6])	119.3770	0.000	1	119.3770	0.000	1	119.6456	1.935	114	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]O)	O(CC[6a]N[6a])	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]O){1|C<3>,2|H<1>}	O(CC[6a]N[6a])	126.5240	0.000	1	126.5240	0.000	1	125.6342	0.809	11	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6a]O)	O(CC[6a]N[6a])	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6a]O){1|C<3>,2|H<1>}	O(CC[6a]N[6a])	125.5452	0.896	10	125.5452	0.802	10	125.6342	0.809	11	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:O-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	O(CC[6a]O)	118.3395	0.941	2	118.3395	0.886	2	118.5596	0.504	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:O-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	118.8400	0.000	1	118.8400	0.000	1	118.5596	0.504	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:O-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(OCo2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COO){1|C<3>,2|N<3>}	O(CC[6a]O)	119.3260	0.000	1	119.3260	0.000	1	118.5596	0.504	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:O-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]2)(ONi2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	O(CC[6a]O)	117.9530	0.000	1	117.9530	0.000	1	118.5596	0.504	5	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:O-3:O-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(OCd2)(O)	C[6a](N[6a]C[6a]Cd)(C[6a]C[6a]H)(COO)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(OCd2)(O)	C[6a](N[6a]C[6a]Cd)(C[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	O(CC[6a]O)	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PCC)(O)	C[6a](C[6a]C[6a]H)2(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PCC)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	O(CC[6a]P)	120.8150	0.000	1	121.7786	0.370	5	121.7709	0.660	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PCC)(O)	C[6a](C[6a]C[6a]H)2(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PCC)(O)	C[6a](C[6a]C[6a]H)2(COP){1|H<1>,2|C<3>}	O(CC[6a]P)	122.0195	0.325	4	121.7786	0.370	5	121.7709	0.660	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PCP)(O)	C[6a](C[6a]C[6a]H)2(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PCP)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	O(CC[6a]P)	122.2345	0.337	6	122.2345	0.114	6	121.7709	0.660	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	O(CC[6a]P)	120.9110	0.000	1	120.9110	0.000	1	121.7709	0.660	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PNN)(O)	C[6a](C[6a]C[6a]H)2(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PNN)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	O(CC[6a]P)	119.8110	0.000	1	119.8110	0.000	1	121.7709	0.660	13	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:S-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SCuZn)(O)	C[6a](C[6a]C[6a]H)2(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SCuZn)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	121.5880	0.000	1	121.5880	0.000	1	125.8628	8.897	4	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:S-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SIr2)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SIr2)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	126.6720	0.229	2	126.6720	0.052	2	125.8628	8.897	4	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:S-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SIrC)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SIrC)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	128.5190	0.000	1	128.5190	0.000	1	125.8628	8.897	4	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:Se-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SeCu2)(O)	C[6a](C[6a]C[6a]H)2(CSeO)	O(CC[6a]Se)	C(C[6a]C[6a]2)(SeCu2)(O)	C[6a](C[6a]C[6a]H)2(CSeO){1|C<3>,2|H<1>}	O(CC[6a]Se)	121.4725	0.237	2	121.4725	0.056	2	121.4725	0.056	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	120.0741	0.615	9	120.0741	0.378	9	120.2814	0.616	11	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(NC[4,4]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(NC[4,4]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.2140	1.006	2	121.2140	1.011	2	120.2814	0.616	11	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5,5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5,5]O)	O(CN[5,5]C[6a])	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5,5]O){1|C<3>,2|H<1>}	O(CN[5,5]C[6a])	121.0810	0.000	1	121.0810	0.000	1	120.5051	0.979	9	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5,5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5,5]O)	O(CN[5,5]C[6a])	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5,5]O){1|C<3>,2|H<1>}	O(CN[5,5]C[6a])	120.4331	1.032	8	120.4331	1.066	8	120.5051	0.979	9	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5,6]O)	O(CN[5,6]C[6a])	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5,6]O){1|C<3>,2|H<1>}	O(CN[5,6]C[6a])	120.3690	0.000	1	120.3690	0.000	1	121.6555	3.310	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5,6]C[5,5,6]O[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5,6]O)	O(CN[5,6]C[6a])	C(N[5,6]C[5,5,6]O[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5,6]O){1|C<3>,2|H<1>}	O(CN[5,6]C[6a])	122.9420	0.000	1	122.9420	0.000	1	121.6555	3.310	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[3x5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[3x5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.5445	1.179	2	120.5445	1.389	2	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	122.4810	0.000	1	122.4810	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,5,6,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,5,6,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	121.2110	0.000	1	121.2110	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,5,6]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,5,6]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	121.0760	0.000	1	121.2082	0.527	9	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,5,6]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,5,6]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N[5])	121.2248	0.775	8	121.2082	0.527	9	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.3955	0.260	2	120.3955	0.067	2	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	119.6013	0.847	3	119.6013	0.717	3	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,5]N[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,5]N[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.6830	0.000	1	120.6830	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	123.1470	0.000	1	123.1470	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.0130	0.817	5	119.7924	1.714	7	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|N<3>}	O(CC[6a]N[5])	119.2410	2.601	2	119.7924	1.714	7	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,6]N[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,6]N[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	119.9590	0.000	2	119.9590	0.000	2	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	121.0020	0.000	1	121.0020	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.8380	1.255	11	120.8380	1.576	11	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	118.6520	0.000	1	118.6520	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	121.2513	1.659	22	121.2513	2.752	22	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5,6a]N[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5,6a]N[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	123.1730	0.000	1	123.1730	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CN[5]O){1|H<1>,2|C<3>}	O(CC[6a]N[5])	119.7950	0.000	1	119.7950	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	125.3900	0.000	1	125.3900	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.6210	0.000	1	120.6210	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.6290	0.000	1	120.6290	0.000	1	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]O){1|C<3>,1|H<1>}	O(CC[6a]N[5])	120.6915	1.815	2	120.6915	3.295	2	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	121.0641	0.588	7	121.1904	2.254	12	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|O<2>}	O(CC[6a]N[5])	120.0770	0.000	1	121.1904	2.254	12	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|H<1>,2|C<3>}	O(CC[6a]N[5])	123.7165	1.682	2	121.1904	2.254	12	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|N<2>,2|H<1>}	O(CC[6a]N[5])	119.6630	1.055	2	121.1904	2.254	12	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	121.4365	1.155	2	121.4365	1.333	2	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|N<3>}	O(CC[6a]N[5])	120.1615	0.340	2	120.1615	0.116	2	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]C[5]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	123.4015	0.387	2	123.4015	0.150	2	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O)	O(CC[6a]N[5])	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5]O){1|C<3>,2|H<1>}	O(CC[6a]N[5])	120.9172	0.900	19	120.9172	0.810	19	120.9875	1.952	108	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	123.1090	0.000	1	123.1090	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	122.5460	0.277	2	122.5460	0.077	2	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	120.3040	0.000	1	120.3040	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	120.9433	1.798	3	120.9433	3.231	3	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	120.0700	0.000	1	120.0700	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]N[5a])	122.9280	0.000	1	121.3978	0.874	10	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]N[5a])	120.9020	0.000	1	121.3978	0.874	10	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	121.2685	0.857	8	121.3978	0.874	10	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	122.7220	0.000	1	122.7220	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	119.8370	0.000	1	119.8370	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	121.8455	0.136	2	121.8455	0.019	2	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	121.3161	1.155	23	121.3161	1.334	23	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]O){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]N[5a])	116.9400	0.000	1	116.9400	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	120.4415	0.538	2	120.4415	0.290	2	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	123.3560	1.663	5	123.3560	2.764	5	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	123.0810	0.201	2	123.0810	0.040	2	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	121.8050	0.000	1	121.8050	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN[5a]O){2|C<3>}	O(CC[6a]N[5a])	122.1620	0.000	1	122.1620	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N[5a])	123.1570	0.000	1	122.7654	2.316	13	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N[5a])	122.8240	0.000	1	122.7654	2.316	13	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	O(CC[6a]N[5a])	122.7832	1.648	6	122.7654	2.316	13	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|H<1>,2|C<3>}	O(CC[6a]N[5a])	122.6540	1.870	5	122.7654	2.316	13	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN[5a]O)	O(CC[6a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,1|H<1>}	O(CC[6a]N[5a])	124.1120	0.000	1	124.1120	0.000	1	121.7845	2.360	71	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6,6]O)	O(CN[6,6]C[6a])	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6,6]O){1|C<3>,2|H<1>}	O(CN[6,6]C[6a])	117.9960	0.000	1	117.9960	0.000	1	119.7480	6.139	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6,6]C[3x6]O[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6,6]O)	O(CN[6,6]C[6a])	C(N[6,6]C[3x6]O[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6,6]O){1|C<3>,2|H<1>}	O(CN[6,6]C[6a])	121.5000	0.000	1	121.5000	0.000	1	119.7480	6.139	2	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[3,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[3,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	120.7640	0.000	1	120.7640	0.000	1	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	117.9585	0.401	2	117.9585	0.161	2	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.6898	0.736	5	119.6898	0.542	5	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	120.7225	0.497	2	120.7225	0.247	2	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	119.3205	0.908	6	119.3205	0.824	6	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	118.6030	0.000	1	118.6030	0.000	1	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	120.7398	1.786	20	120.3301	3.935	23	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|N<3>}	O(CC[6a]N[6])	117.5990	0.350	3	120.3301	3.935	23	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	121.1482	0.218	6	121.1482	0.047	6	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O)	O(CC[6a]N[6])	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[6]O){1|C<3>,2|H<1>}	O(CC[6a]N[6])	120.2503	2.059	3	120.2503	4.240	3	120.1293	2.644	49	120.5425	2.623	10105	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.6300	0.000	1	119.6300	0.000	1	120.5815	1.823	8	120.4229	1.532	10	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO){2|C<3>}	O(CC[6a]C)	122.3680	0.000	1	122.3680	0.000	1	120.5815	1.823	8	120.4229	1.532	10	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]C)	119.4510	0.000	1	119.4510	0.000	1	120.5815	1.823	8	120.4229	1.532	10	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO){2|C<3>}	O(CC[6a]C)	120.9080	0.000	1	120.9080	0.000	1	120.5815	1.823	8	120.4229	1.532	10	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO){2|C<3>}	O(CC[6a]C)	119.1070	0.000	1	119.1070	0.000	1	120.5815	1.823	8	120.4229	1.532	10	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	O(CC[6a]C)	121.0627	1.485	3	121.0627	2.205	3	120.5815	1.823	8	120.4229	1.532	10	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:O-1:	S[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]S[6a])(CH3)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]S[6a])(CH3)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CCO){5|B<6>}	O(CC[6a]C)	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	120.4229	1.532	10	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	2:3:3:	3:	C[6a]-3:C[5]-4:O-1:	S[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]S[6a])(C[5]C[5]2Fe)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]S[6a])(C[5]C[5]2Fe)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5]O){5|B<6>}	O(CC[6a]C[5])	119.6910	0.000	1	119.6910	0.000	1	119.6910	0.000	1	120.4229	1.532	10	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]N[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO){1|H<1>,4|C<3>}	O(CC[6a]C)	120.2450	0.000	1	120.2450	0.000	1	120.2450	0.000	1	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6,6a]N[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]N[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO){1|C<4>,1|O<1>,2|C<3>}	O(CC[6a]C)	118.6500	0.000	1	118.6500	0.000	1	118.6500	0.000	1	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.8673	0.371	3	119.8673	0.138	3	119.8560	0.415	38	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.8094	0.480	19	119.8094	0.230	19	119.8560	0.415	38	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	119.5065	0.663	2	119.5065	0.439	2	119.8560	0.415	38	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.7280	0.398	9	119.7588	0.179	13	119.8560	0.415	38	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){3|C<3>}	O(CC[6a]C)	119.8280	0.535	4	119.7588	0.179	13	119.8560	0.415	38	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	O(CC[6a]C)	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.6710	0.000	1	122.6710	0.000	1	119.8560	0.415	38	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[3]C[3]2H)(O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]N[6a])(C[3]C[3]2H)(O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O){1|C<3>,1|H<1>}	O(CC[6a]C[3])	121.4010	0.065	2	121.4010	0.004	2	121.4010	0.004	2	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]N[6a])(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	120.5855	0.309	2	120.5855	0.095	2	120.5855	0.095	2	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.1639	0.660	8	119.1639	0.435	8	119.1639	0.435	8	119.8213	0.583	52	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:B[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	C[6a](C[6a]C[6a]H)2(CB[6]O)	O(CC[6a]B[6])	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	C[6a](C[6a]C[6a]H)2(CB[6]O){1|C<3>,2|H<1>}	O(CC[6a]B[6])	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	B[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]B[6a,6a]C[6a])(CH3)(O)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]B[6a,6a]C[6a])(CH3)(O)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	O(CC[6a]C)	120.3363	0.210	3	120.3363	0.044	3	120.3363	0.044	3	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]C)	119.6770	0.296	6	119.6770	0.088	6	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCHH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCHH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]C)	120.2360	0.000	1	120.2360	0.000	1	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CClHH)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CClHH)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<4>,3|C<3>}	O(CC[6a]C)	122.0585	0.071	2	122.0585	0.005	2	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO){1|C<3>,5|C<4>}	O(CC[6a]C)	121.0440	0.000	1	120.0505	1.974	2	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO){1|O<1>,4|C<3>}	O(CC[6a]C)	119.0570	0.000	1	120.0505	1.974	2	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(CC[6a]C)	120.3240	0.000	1	120.3240	0.000	1	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]C)	121.2720	0.000	1	120.1225	0.492	6	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){2|C<3>,2|C<4>}	O(CC[6a]C)	119.8926	0.467	5	120.1225	0.492	6	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CHHN)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CHHN)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<4>,3|C<3>}	O(CC[6a]C)	122.4580	0.000	1	122.4580	0.000	1	120.3175	1.020	19	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,2|C<3>}	O(CC[6a]C)	118.3530	0.509	2	118.3530	0.259	2	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]C)	119.8230	0.000	1	119.8230	0.000	1	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCO){1|H<1>,3|C<3>}	O(CC[6a]C)	119.0220	0.000	1	119.0220	0.000	1	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CF3)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CF3)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,3|C<3>}	O(CC[6a]C)	125.9467	0.399	4	125.9467	0.159	4	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO){1|O<2>,4|C<3>}	O(CC[6a]C)	119.5820	0.000	1	119.5820	0.000	1	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,4|C<3>}	O(CC[6a]C)	120.5170	0.000	1	119.6523	1.119	3	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]C)	119.2200	1.056	2	119.6523	1.119	3	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]C)	119.9660	0.000	1	119.9660	0.000	1	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO){2|C<3>,2|N<2>}	O(CC[6a]C)	119.4190	0.000	1	119.4190	0.000	1	121.2330	10.033	14	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]2)(CCCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])2(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]2)(CCCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])2(CCO){2|C<3>,3|C<4>}	O(CC[6a]C)	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(CCO){2|C<3>,2|C<4>}	O(CC[6a]C)	119.0230	0.000	1	119.0230	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	O(CC[6a]C)	119.3860	0.000	1	119.3860	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]C)	119.4160	0.000	1	119.4160	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO){1|C<4>,3|C<3>}	O(CC[6a]C)	119.3055	0.435	2	119.3055	0.189	2	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CC[6]CH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CC[6]CH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<1>,3|C<3>}	O(CC[6a]C)	119.5530	0.000	1	119.5530	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	O(CC[6a]C)	119.9520	0.000	1	119.9520	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CCO){1|O<1>,4|C<3>}	O(CC[6a]C)	121.3720	0.000	1	121.3720	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCO){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]C)	121.5450	0.000	1	121.5450	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCO){1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]C)	119.7965	0.882	4	119.7965	0.777	4	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C)	121.8580	0.000	1	121.8580	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO){1|C<4>,3|C<3>}	O(CC[6a]C)	120.1060	0.000	1	120.1060	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	O(CC[6a]C)	119.6300	0.000	1	119.6300	0.000	1	119.9774	0.892	16	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[5,6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]C[5])(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[5,6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]C[5])(CCO){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(CC[6a]C)	121.8010	0.000	1	121.8010	0.000	1	121.8010	0.000	1	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CBrHH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]2)(CBrHH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	O(CC[6a]C)	123.1410	0.000	1	123.1410	0.000	1	120.5669	1.435	8	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]2)(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	O(CC[6a]C)	120.1991	0.642	7	120.1991	0.412	7	120.5669	1.435	8	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CBrHH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CBrHH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	124.1560	0.000	1	124.1560	0.000	1	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]C)	119.6940	0.957	2	118.9045	1.338	4	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<4>,3|C<3>}	O(CC[6a]C)	118.1150	0.778	2	118.9045	1.338	4	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]C)	120.3280	0.000	1	120.0660	0.137	2	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]C)	119.8040	0.000	1	120.0660	0.137	2	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO){1|C<4>,3|C<3>}	O(CC[6a]C)	118.6665	0.852	2	118.6665	0.726	2	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	122.8060	0.000	1	122.8060	0.000	1	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	122.2430	1.771	2	122.2430	3.135	2	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]C)	120.1400	0.000	1	120.1400	0.000	1	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	119.5720	0.000	1	119.5720	0.000	1	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CF3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CF3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]C)	123.6870	0.000	1	125.0230	3.570	2	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CF3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CF3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	126.3590	0.000	1	125.0230	3.570	2	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	O(CC[6a]C)	122.4410	0.690	3	121.6974	0.435	12	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	121.4496	0.450	9	121.6974	0.435	12	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]C)	120.4310	0.000	1	121.3870	0.922	3	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]C)	122.3510	0.000	1	121.3870	0.922	3	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	121.3790	0.000	1	121.3870	0.922	3	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]C)	120.5750	0.000	1	121.0800	1.209	7	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]C)	120.3230	0.980	3	121.0800	1.209	7	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	122.0053	0.629	3	121.0800	1.209	7	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CCO){1|H<1>,3|C<3>}	O(CC[6a]C)	121.6100	0.000	1	121.6100	0.000	1	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO){1|H<1>,3|C<3>}	O(CC[6a]C)	119.6375	1.027	2	119.6375	1.056	2	121.1528	2.941	41	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[5a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO)	O(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO){7|C<3>}	O(CC[6a]C)	120.1160	0.000	1	120.1160	0.000	1	120.1160	0.000	1	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CAs[5,5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CAs[5,5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2440	0.346	2	121.2440	0.120	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.3240	0.000	1	118.3410	0.001	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	118.3580	0.000	1	118.3410	0.001	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBr2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBr2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.3480	0.000	1	120.3480	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBr2C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBr2C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.2090	0.000	1	122.2090	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBr2C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBr2C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4315	1.555	2	120.4315	2.418	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBr2H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBr2H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	120.1083	0.464	3	120.1083	0.215	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBr2H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBr2H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.5950	0.000	1	121.5950	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.2920	0.000	1	119.2920	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.6500	0.000	1	122.6500	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C)	122.5380	1.871	2	122.0904	1.668	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.9114	1.219	5	122.0904	1.668	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.6430	0.000	1	122.6430	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.6293	0.652	24	121.6293	0.425	24	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	119.2973	0.174	3	119.2973	0.030	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	122.4550	0.000	1	122.4550	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	120.9980	0.006	2	121.8246	1.021	10	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.5790	0.000	1	121.8246	1.021	10	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	121.5880	0.000	1	121.8246	1.021	10	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.8016	0.813	5	121.8246	1.021	10	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CBrHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	124.0750	0.000	1	121.8246	1.021	10	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	118.5450	0.000	1	118.5450	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.5715	0.076	2	119.5715	0.006	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.0099	1.342	12	119.0099	1.801	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.3585	0.466	2	120.3585	0.217	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.6785	0.173	2	120.6785	0.030	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	119.3955	0.264	2	119.3955	0.070	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.8680	0.000	1	121.8680	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	120.2960	0.000	1	120.2960	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.5080	0.000	1	119.5080	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	121.2130	0.000	1	120.5915	0.773	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.9700	0.000	1	120.5915	0.773	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.4340	0.000	1	119.7670	0.348	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.4335	0.172	2	119.7670	0.348	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.6960	0.000	1	120.6960	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|B<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.3900	0.000	1	120.3900	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.7138	0.986	5	120.7318	0.567	97	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.7519	0.748	89	120.7318	0.567	97	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	O(CC[6a]C)	120.1650	0.388	3	120.7318	0.567	97	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.6670	0.227	4	118.6670	0.052	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	119.3655	0.402	2	119.3655	0.162	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.2950	0.000	1	119.2950	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCO)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCO)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|O<2>,3|C<3>}	O(CC[6a]C)	121.4380	0.000	1	121.4380	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.0950	0.474	2	121.0950	0.224	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCFF)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCFF)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.8910	0.000	1	121.8910	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCFF)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCFF)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.0213	0.732	3	122.0213	0.536	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCFH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCFH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.3810	0.871	2	121.3810	0.759	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCFH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCFH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.0378	0.884	5	122.0378	0.782	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCFN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCFN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2775	0.124	2	121.2775	0.015	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	119.7850	0.000	1	119.7850	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.3035	0.251	2	120.3035	0.063	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]C)	120.3685	0.098	2	120.3685	0.010	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.7550	0.000	1	121.7550	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.8630	0.000	1	119.8630	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCO){4|C<3>}	O(CC[6a]C)	119.9850	0.000	1	119.9850	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCO){3|C<3>}	O(CC[6a]C)	120.7550	0.000	1	120.7550	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.9152	0.672	11	120.9152	0.452	11	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	118.1690	0.000	1	118.1690	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	O(CC[6a]C)	119.5637	1.597	3	119.5637	2.551	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	122.0290	0.000	1	122.0290	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	118.0350	0.000	1	118.0350	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.6583	1.456	3	120.6583	2.121	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.9390	1.833	2	120.9390	3.359	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.5995	0.401	4	120.7656	0.258	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.4300	0.000	1	120.7656	0.258	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	121.2430	0.000	1	121.2057	0.066	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.1870	0.359	2	121.2057	0.066	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.9740	0.045	2	118.9740	0.002	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]F)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	O(CC[6a]C)	119.9220	0.000	1	119.9220	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.5613	0.824	6	120.2140	0.934	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.5230	0.000	1	120.2140	0.934	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|N<2>,2|H<1>}	O(CC[6a]C)	118.8210	0.000	1	120.2140	0.934	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	121.1860	0.000	1	120.4940	1.241	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.3855	1.165	2	120.4940	1.241	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.5560	1.087	8	120.4940	1.241	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.5230	0.000	1	120.4940	1.241	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.9770	0.000	1	119.9770	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	117.8270	0.000	1	117.8270	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	119.9740	0.399	2	119.9740	0.159	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	120.4580	0.245	4	120.4920	0.447	426	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.5931	1.285	9	120.4920	0.447	426	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	119.2025	1.193	2	120.4920	0.447	426	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.6858	0.693	6	120.4920	0.447	426	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	120.4560	0.726	28	120.4920	0.447	426	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4955	0.643	374	120.4920	0.447	426	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	O(CC[6a]C)	121.2160	0.000	1	120.4920	0.447	426	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	120.3030	0.047	2	120.4920	0.447	426	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	O(CC[6a]C)	119.2810	0.000	1	119.2810	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C)	119.4076	0.545	7	119.4076	0.297	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C)	119.0995	0.075	4	119.0856	0.005	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	119.0300	0.000	1	119.0856	0.005	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2520	0.000	1	121.2520	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCO){3|C<3>}	O(CC[6a]C)	120.2900	0.000	1	120.2900	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.8127	1.459	3	119.9943	1.099	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.7263	0.924	7	119.9943	1.099	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.7045	0.149	2	119.9943	1.099	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,1|C<4>}	O(CC[6a]C)	122.0260	0.000	1	122.2455	0.096	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	122.4650	0.000	1	122.2455	0.096	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	119.2650	0.000	1	119.2650	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHN)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	122.7770	0.175	2	122.7770	0.031	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.5416	0.773	33	121.5123	1.023	36	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.1903	2.859	3	121.5123	1.023	36	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.4830	0.310	2	122.4830	0.096	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4075	0.224	4	120.4075	0.050	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.4240	0.000	2	119.4240	0.000	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.8020	0.629	4	119.8759	0.189	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.9497	0.179	4	119.8759	0.189	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	122.0035	0.650	2	121.3709	0.487	52	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	122.3950	0.000	1	121.3709	0.487	52	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.3242	0.684	49	121.3709	0.487	52	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.5210	0.000	1	120.5210	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHS)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.0760	0.130	2	121.0760	0.017	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.8700	0.303	2	121.8700	0.092	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.0210	0.000	1	121.0210	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCHS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2506	0.545	9	121.2506	0.297	9	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCNN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCNN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.3600	1.270	2	122.3600	1.613	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3,5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[3,5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.0050	0.000	1	121.0050	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.3590	0.000	1	120.3590	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3x4]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[3x4]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0360	0.000	1	120.0360	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.1450	0.000	1	121.1450	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.0525	0.029	2	121.0525	0.001	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.9735	0.452	11	118.9735	0.204	11	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.7297	0.601	3	119.7297	0.361	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.6490	0.000	1	120.6490	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,6]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.9568	0.292	5	119.9568	0.085	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.8210	0.000	1	118.8210	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.9890	1.484	2	121.9890	2.201	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.3680	0.272	5	120.3680	0.074	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]2H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]2H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.7680	0.000	1	120.7680	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]BrH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]BrH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.9890	0.000	1	120.9890	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.2260	0.000	1	120.2260	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.7135	0.608	15	120.7135	0.369	15	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.8090	0.000	1	119.8090	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.3280	0.037	2	121.3280	0.001	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.9763	0.237	3	118.9763	0.056	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C)	119.6130	0.000	1	120.5909	0.433	92	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.6187	0.637	90	120.5909	0.433	92	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	O(CC[6a]C)	119.0710	0.000	1	120.5909	0.433	92	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.8594	0.564	7	120.8594	0.318	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]2H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]2H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.2827	1.035	3	120.2827	1.070	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.5430	0.000	1	119.5430	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.9730	0.000	1	119.9730	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.9673	0.258	3	120.9673	0.066	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]C)	121.9150	0.000	1	121.9150	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.8690	1.024	2	120.8690	1.048	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.8384	0.973	13	120.8384	0.946	13	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]HN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]HN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.7080	0.000	1	120.7080	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.8300	0.000	1	119.8300	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6,6]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6,6]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.7060	0.000	1	120.7060	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6,6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6,6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2370	0.438	2	121.2370	0.192	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]2H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]2H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.9940	0.000	1	120.9940	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]BrH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]BrH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.1550	0.000	1	123.1550	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.5249	0.777	7	121.5249	0.603	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]CO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]CO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.2860	0.000	1	120.2860	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]FF)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]FF)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.1905	0.613	2	122.1905	0.376	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	118.9165	1.507	4	118.9165	2.271	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	121.3130	0.679	5	121.3130	0.460	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	O(CC[6a]C)	120.9200	0.000	1	120.9200	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C)	118.6550	0.000	1	118.6550	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C)	121.1848	0.299	6	121.1848	0.090	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.2840	1.261	2	119.2840	1.591	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.5420	0.000	1	119.5420	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.3111	0.646	85	120.3067	0.415	86	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	119.9300	0.000	1	120.3067	0.415	86	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.6330	0.000	1	120.6330	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2360	0.000	1	121.2360	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4491	0.465	12	120.4491	0.216	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2S)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2S)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.6875	2.024	2	119.6875	4.098	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]BH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]BH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.9550	0.000	1	118.9550	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Br2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Br2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.4850	0.000	1	122.4850	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.3017	0.480	6	119.3017	0.231	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CF)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CF)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.8890	0.433	2	120.8890	0.187	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.6550	0.000	1	120.6550	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.6490	0.202	2	119.6490	0.041	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.4800	0.000	1	121.4800	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.6700	0.000	1	121.6700	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0270	0.507	25	120.0270	0.257	25	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4420	0.000	1	120.4420	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.9763	0.764	3	120.9763	0.583	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]ClH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]ClH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.3140	0.000	1	121.3140	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]FH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]FH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.1115	0.152	2	122.1115	0.023	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]FP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]FP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.3827	0.739	7	121.3827	0.546	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCO){3|C<3>}	O(CC[6a]C)	122.3060	0.089	2	122.3060	0.008	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.6190	0.000	1	120.6190	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CCO){2|C<3>}	O(CC[6a]C)	122.3370	0.000	1	122.3370	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.7710	0.000	1	120.7710	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.0830	0.000	1	119.0830	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	118.6650	0.000	1	120.8445	1.125	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.1030	0.000	1	120.8445	1.125	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.4102	0.398	5	120.8445	1.125	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	119.9370	0.000	1	120.8445	1.125	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.9370	0.339	2	120.5413	0.361	23	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.5036	0.612	21	120.5413	0.361	23	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.0480	0.652	11	120.9660	0.467	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	O(CC[6a]C)	120.0640	0.000	1	120.9660	0.467	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.6720	0.100	2	121.6720	0.010	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]HS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.7002	0.679	6	120.7002	0.461	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]NS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]NS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.9303	0.132	3	120.9303	0.017	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCl2C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCl2C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.4183	0.942	6	121.4183	0.887	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCl2H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCl2H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.6530	0.000	1	122.6530	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CClCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.8863	0.424	4	121.8863	0.180	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	122.4840	0.000	1	122.4840	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.4500	0.000	1	123.4500	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CClHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.3543	1.219	10	121.3543	1.486	10	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCo3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CCo3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.9250	0.000	1	118.9250	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	124.5475	0.373	2	124.5475	0.139	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	124.0640	0.997	2	124.7003	1.712	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	125.9730	0.000	1	124.7003	1.712	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	123.6300	0.000	1	124.4097	0.675	9	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	123.1690	0.000	1	124.4097	0.675	9	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CF3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	124.6983	0.668	7	124.4097	0.675	9	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFFN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CFFN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.1470	0.000	1	122.1470	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFeCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CFeCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.3040	0.000	1	119.3040	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFeCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CFeCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.4830	0.000	1	119.4830	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	122.1090	0.000	1	121.3825	0.427	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO){1|Si<4>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.3565	0.545	2	121.3825	0.427	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO){3|C<3>}	O(CC[6a]C)	120.7080	0.000	1	121.3825	0.427	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.3610	0.000	1	120.4114	0.056	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	120.7910	0.000	1	120.4114	0.056	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|Si<4>,1|C<3>,1|H<1>}	O(CC[6a]C)	120.3017	0.143	3	120.4114	0.056	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.1540	0.420	2	120.1540	0.176	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|C<4>}	O(CC[6a]C)	120.7100	0.000	1	120.7100	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	O(CC[6a]C)	118.8740	0.632	2	118.8740	0.400	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]C)	120.5670	0.000	1	120.7100	0.274	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.6698	0.545	10	120.7100	0.274	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){3|C<3>}	O(CC[6a]C)	121.2550	0.000	1	120.7100	0.274	12	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.9047	0.705	3	120.9047	0.497	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	120.9865	0.327	4	120.9865	0.107	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>,2|O<2>}	O(CC[6a]C)	119.5720	0.000	1	119.5720	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.1740	0.020	2	120.1740	0.000	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]C)	120.4200	0.000	1	119.3490	2.294	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	118.2780	0.000	1	119.3490	2.294	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCO){1|Br<1>,1|C<3>,1|C<4>}	O(CC[6a]C)	121.3515	0.935	4	121.3515	0.875	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.9185	0.519	4	120.7420	0.267	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	120.6620	0.000	1	120.7420	0.267	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.9460	0.000	1	120.7420	0.267	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.9120	0.000	1	120.7420	0.267	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	121.7310	0.000	1	121.7310	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(CCO){1|C<3>,1|C<4>}	O(CC[6a]C)	120.9130	0.000	1	120.9130	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.3205	0.301	2	120.7793	0.151	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	121.0325	0.170	2	120.7793	0.151	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.9850	0.028	2	120.7793	0.151	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	119.8920	0.000	1	119.8510	0.003	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.8100	0.000	1	119.8510	0.003	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	O(CC[6a]C)	121.2160	0.157	3	121.2160	0.025	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	120.4640	0.228	2	120.4640	0.052	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	O(CC[6a]C)	120.1695	1.219	4	120.1695	1.485	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){1|C<4>,4|C<3>}	O(CC[6a]C)	120.8400	0.000	1	120.4173	0.226	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){1|H<1>,4|C<3>}	O(CC[6a]C)	120.4760	0.351	2	120.4173	0.226	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){4|C<3>}	O(CC[6a]C)	120.2373	0.602	3	120.4173	0.226	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.5580	0.000	1	121.5580	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	118.8435	0.367	2	118.8435	0.135	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	120.2960	0.025	3	120.1996	0.032	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.1273	0.216	4	120.1996	0.032	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCO){2|C<3>}	O(CC[6a]C)	121.9423	0.708	3	121.9423	0.502	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	118.5881	1.001	20	118.5881	1.001	20	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	O(CC[6a]C)	122.1195	0.316	2	122.1195	0.100	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CCO){2|C<3>}	O(CC[6a]C)	122.4145	0.453	2	122.4145	0.205	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	121.1220	0.000	1	121.1220	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.3375	0.039	2	120.3375	0.002	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.9310	0.000	1	120.8540	0.860	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	O(CC[6a]C)	121.1617	0.849	3	120.8540	0.860	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.3980	0.000	1	119.3980	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCO){2|C<3>}	O(CC[6a]C)	119.4970	0.000	1	119.4970	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	118.9380	0.000	1	118.9380	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]C)	119.1970	0.000	1	120.6128	1.053	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	120.9668	0.755	4	120.6128	1.053	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	122.6040	0.000	1	122.6040	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO){1|C<2>,3|C<3>}	O(CC[6a]C)	120.6725	0.598	2	120.7847	0.216	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO){1|H<1>,3|C<3>}	O(CC[6a]C)	121.0090	0.000	1	120.7847	0.216	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]2)2(CCO){7|C<3>}	O(CC[6a]C)	119.5717	0.352	3	119.5717	0.124	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.7220	0.000	1	118.7220	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	121.7577	0.436	3	121.3409	1.378	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.6820	0.000	1	121.3409	1.378	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>}	O(CC[6a]C)	122.3440	0.222	2	121.3409	1.378	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.7430	0.000	1	121.3409	1.378	7	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|S<2>}	O(CC[6a]C)	119.7780	0.000	1	120.2612	0.863	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0300	0.915	3	120.2612	0.863	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.4380	0.000	1	120.2612	0.863	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	O(CC[6a]C)	119.4363	0.813	6	119.4363	0.661	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.9310	0.892	5	122.0456	2.854	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	123.9033	0.339	3	122.0456	2.854	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]C)	122.5965	1.430	2	122.5965	2.046	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	118.7070	0.000	1	119.9735	3.208	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2400	0.000	1	119.9735	3.208	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.3800	0.000	1	118.3800	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.3420	0.000	1	121.7581	0.443	18	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.7150	0.000	1	121.7581	0.443	18	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.8741	0.428	14	121.7581	0.443	18	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Pt<4>,1|C<3>,1|H<1>}	O(CC[6a]C)	122.5360	0.000	1	121.7581	0.443	18	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){2|Br<1>,1|C<3>}	O(CC[6a]C)	121.8140	0.000	1	121.7581	0.443	18	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	120.0550	0.100	2	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]C)	120.0837	0.087	4	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.5780	1.970	2	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]C)	120.0689	0.216	8	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	119.7035	0.125	2	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.5260	1.629	3	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	120.6128	0.200	4	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.9912	0.946	27	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|O<2>}	O(CC[6a]C)	120.8840	0.000	1	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	O(CC[6a]C)	119.4965	1.117	2	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.5280	0.113	2	120.0576	0.696	57	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.6420	0.000	1	120.6420	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|B<3>,1|C<4>,1|I<1>}	O(CC[6a]C)	119.1220	0.000	1	119.1220	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|S<2>,2|C<3>}	O(CC[6a]C)	119.4140	0.000	1	119.4140	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.2885	0.621	4	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]C)	120.1608	0.623	11	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	120.2109	0.711	19	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<4>}	O(CC[6a]C)	119.7620	0.173	2	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.9422	0.701	5	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]C)	120.0310	0.000	1	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.1986	0.837	147	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	O(CC[6a]C)	120.4365	0.228	2	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	119.7510	0.000	1	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	120.3705	0.516	6	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Ir<8>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.0980	0.000	1	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	O(CC[6a]C)	119.4663	0.497	12	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|O<2>,2|C<3>}	O(CC[6a]C)	120.3640	0.000	1	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Pd<4>,1|C<3>,1|H<1>}	O(CC[6a]C)	120.7460	0.410	2	120.1625	0.618	214	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.7880	0.000	1	121.7880	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CCO){1|C<2>,1|C<3>}	O(CC[6a]C)	120.7160	0.000	1	120.7160	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	117.8620	0.000	1	117.8620	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(CCO){4|C<3>}	O(CC[6a]C)	119.8470	0.000	1	119.8470	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCO){4|C<3>}	O(CC[6a]C)	119.4030	0.000	1	119.4030	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO){1|C<3>,1|H<1>}	O(CC[6a]C)	119.9960	0.000	1	119.9960	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.0182	0.336	6	119.7547	0.328	25	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.4800	0.000	1	119.7547	0.328	25	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	119.7668	0.286	4	119.7547	0.328	25	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0104	0.857	7	119.7547	0.328	25	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.3187	0.305	4	119.7547	0.328	25	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]O)2(CCO){3|C<3>}	O(CC[6a]C)	119.2880	0.064	3	119.7547	0.328	25	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	119.0360	0.000	1	119.0360	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCO){2|C<3>}	O(CC[6a]C)	120.3960	0.000	1	120.3960	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	121.7200	0.000	1	121.7200	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0940	0.000	1	120.0940	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.6171	0.514	20	121.6171	0.264	20	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]C)	121.5420	0.000	1	121.7970	0.310	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	121.8607	0.621	4	121.7970	0.310	5	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	125.0440	0.000	1	125.0440	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.8540	0.000	1	118.8540	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]C)	123.5860	0.000	1	123.5860	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.5000	0.614	2	121.5000	0.377	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	122.5780	0.000	1	121.7758	0.294	55	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.7609	0.536	54	121.7758	0.294	55	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]O)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.5420	0.000	1	120.5420	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]P)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHP)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]P)(CCO){1|C<3>,2|C<4>}	O(CC[6a]C)	121.9990	0.000	1	121.9990	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHP)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.3050	0.000	1	123.3050	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.2728	0.923	16	121.2728	0.852	16	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	O(CC[6a]C)	119.0950	0.267	3	119.0950	0.072	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	O(CC[6a]C)	120.9510	0.000	1	120.9510	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.9825	2.143	2	120.9825	4.593	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C)	119.9880	0.000	1	121.5297	0.420	43	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.5745	0.457	4	121.5297	0.420	43	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHHS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.5656	0.627	38	121.5297	0.420	43	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHNN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHNN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.7630	0.000	1	122.7630	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.0800	0.000	1	122.0800	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHOO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHOO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.6600	0.639	4	121.6600	0.408	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHOS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHOS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.2310	0.632	4	120.2310	0.399	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHSS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CHSS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.7510	0.000	1	121.7510	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]CH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]CH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	122.2410	0.923	2	122.2410	0.853	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.8420	0.000	1	121.8420	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	O(CC[6a]C)	122.2350	1.020	3	122.2350	1.040	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.8140	3.094	2	121.8140	9.575	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.4630	2.572	3	122.4630	6.614	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	121.8880	0.000	1	122.2294	0.640	20	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.3271	0.820	17	122.2294	0.640	20	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.5700	0.498	2	122.2294	0.640	20	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]HO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.6880	0.000	1	122.6880	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	124.6770	0.000	1	124.0945	0.679	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	123.5120	0.000	1	124.0945	0.679	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]BrH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]BrH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.8070	0.000	1	120.8070	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.3512	0.285	6	121.3512	0.081	6	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.7710	2.891	2	121.7710	8.356	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.8025	0.842	2	119.8025	0.709	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.1585	0.610	27	122.1585	0.373	27	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.6370	0.000	1	120.6370	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.7023	0.157	3	122.7023	0.025	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]CH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.0150	0.000	1	120.0150	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.3280	0.000	1	122.3280	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	122.4360	0.000	1	122.2985	0.764	20	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.3098	0.920	18	122.2985	0.764	20	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C)	121.9580	0.000	1	122.2985	0.764	20	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]PdH)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]PdH)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	126.8190	0.000	1	126.8190	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C)	121.4680	0.000	1	121.8180	0.321	10	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.8569	0.586	9	121.8180	0.321	10	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNiCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNiCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	117.7600	0.000	1	117.7600	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNiFF)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CNiFF)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.1860	0.000	1	120.1860	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COsCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(COsCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.3520	0.000	1	120.3520	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPdCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CPdCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.7550	0.000	1	120.7550	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPdHP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CPdHP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.8160	1.334	2	118.8160	1.778	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPdHS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CPdHS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	118.7100	0.000	1	118.7100	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPdHS)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CPdHS)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	124.5250	0.000	1	124.5250	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPtCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CPtCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	117.9590	0.000	1	117.9590	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRu2C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CRu2C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4245	0.326	2	120.4245	0.106	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRu2C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CRu2C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.5620	0.301	2	122.5620	0.091	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRu2C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CRu2C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.8975	0.037	2	121.8975	0.001	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRu2C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CRu2C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.6705	0.741	8	120.6705	0.549	8	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CRuCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	123.4075	0.244	2	123.4075	0.060	2	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CRuCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.4995	0.980	4	121.4995	0.960	4	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSeCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CSeCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.3133	0.755	3	120.3133	0.570	3	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSeHH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CSeHH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	122.1240	0.000	1	122.1240	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSeHS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(C[6a]C[6a]2)(CSeHS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	122.1260	0.000	1	122.1260	0.000	1	120.7158	1.257	2130	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[3]C[3]2H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a,6a]C[6a])(C[3]C[3]2H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]O){2|H<1>,3|C<3>}	O(CC[6a]C[3])	119.9048	0.615	4	119.9048	0.379	4	119.9048	0.379	4	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	120.9031	0.513	12	120.9031	0.263	12	120.6599	0.968	53	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	121.6820	0.000	1	121.6820	0.000	1	120.6599	0.968	53	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C[3])	120.4005	0.359	2	119.6791	1.120	9	120.6599	0.968	53	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	119.9717	0.679	3	119.6791	1.120	9	120.6599	0.968	53	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C[3])	119.0990	1.325	4	119.6791	1.120	9	120.6599	0.968	53	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C[3])	119.1780	0.000	1	120.8329	0.972	29	120.6599	0.968	53	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	120.8920	0.950	28	120.8329	0.972	29	120.6599	0.968	53	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[3]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2N)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2N)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	120.5960	0.000	2	120.5960	0.000	2	120.6599	0.968	53	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	120.5703	0.396	3	120.5703	0.157	3	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	120.9675	0.071	2	120.9675	0.005	2	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C[4])	119.8760	0.000	1	119.9075	0.004	4	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	119.9180	0.075	3	119.9075	0.004	4	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C[4])	120.5180	0.000	1	120.5271	0.628	34	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	120.6372	0.585	27	120.5271	0.628	34	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|N<2>,2|H<1>}	O(CC[6a]C[4])	120.0330	1.417	6	120.5271	0.628	34	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2N)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2N)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	119.8670	0.000	1	119.8670	0.000	1	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2O)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2O)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	121.1540	0.000	1	121.1540	0.000	1	120.4937	0.540	45	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]O){1|H<1>,4|C<3>}	O(CC[6a]C[5])	123.6910	0.288	2	123.6910	0.083	2	123.6910	0.083	2	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.2020	0.000	1	119.2020	0.000	1	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.1800	0.000	1	121.1800	0.000	1	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.9401	1.231	9	119.9401	1.517	9	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C[5])	121.5880	0.000	1	121.5880	0.000	1	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.3290	0.000	1	120.3290	0.000	1	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.2520	0.666	88	120.2520	0.444	88	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2N)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2N)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.0530	0.000	1	120.0530	0.000	1	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2O)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2O)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.8460	1.062	2	120.8460	1.128	2	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]N[5]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.9750	0.000	1	119.9750	0.000	1	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	124.2730	0.799	4	124.2730	0.638	4	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.1280	0.668	2	121.1280	0.446	2	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	122.6008	0.285	4	122.6008	0.081	4	120.4818	1.247	115	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.7850	0.000	1	120.7850	0.000	1	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.1747	1.674	3	120.1747	2.802	3	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.2128	1.995	9	119.2128	3.978	9	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]2)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]2)2(CC[6]O){2|H<1>,5|C<3>}	O(CC[6a]C[6])	121.0860	0.000	1	121.0860	0.000	1	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C[6])	120.2300	0.000	1	120.2760	0.004	2	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.3220	0.000	1	120.2760	0.004	2	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]C)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]C)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[6])	120.4450	0.000	1	120.5825	0.038	2	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]C)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]C)2(CC[6]O){1|C<3>,2|C<4>}	O(CC[6a]C[6])	120.7200	0.000	1	120.5825	0.038	2	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	122.0880	0.000	1	122.0880	0.000	1	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C[6])	118.7365	1.034	2	119.8397	1.734	9	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.1549	1.270	7	119.8397	1.734	9	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.9132	0.880	44	119.9132	0.774	44	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]S[6]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]S[6]2C)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	118.6940	0.000	1	118.6940	0.000	1	119.8979	1.372	73	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:Ge-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(GeC3)(O)	C[6a](C[6a]C[6a]C)2(CGeO)	O(CC[6a]Ge)	C(C[6a]C[6a]2)(GeC3)(O)	C[6a](C[6a]C[6a]C)2(CGeO){1|C<3>,2|H<1>}	O(CC[6a]Ge)	121.8781	1.138	9	121.8781	1.295	9	121.8781	1.295	9	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]HH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]HH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	121.4760	0.000	1	121.4760	0.000	1	121.3903	16.491	4	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NFeCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	122.1460	0.000	1	122.1460	0.000	1	121.3903	16.491	4	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NIrHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	O(CC[6a]N)	116.0430	0.000	1	116.0430	0.000	1	121.3903	16.491	4	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPd2O)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO)	O(CC[6a]N)	C(C[6a]C[6a]2)(NPd2O)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]N)	125.8960	0.000	1	125.8960	0.000	1	121.3903	16.491	4	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PCCO)(O)	C[6a](C[6a]C[6a]C)2(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PCCO)(O)	C[6a](C[6a]C[6a]C)2(COP){1|C<3>,2|H<1>}	O(CC[6a]P)	125.1280	0.115	2	125.1280	0.013	2	124.0313	3.489	12	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PC[6a]2Cu)(O)	C[6a](C[6a]C[6a]H)2(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2Cu)(O)	C[6a](C[6a]C[6a]H)2(COP){1|H<1>,2|C<3>}	O(CC[6a]P)	121.6860	0.333	4	121.6860	0.111	4	124.0313	3.489	12	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PC[6a]2Pd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2Pd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(COP){1|H<1>,2|C<3>}	O(CC[6a]P)	125.8582	0.291	4	125.8582	0.085	4	124.0313	3.489	12	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PClRuC)(O)	C[6a](C[6a]C[6a]H)2(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PClRuC)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	O(CC[6a]P)	124.0450	0.000	1	124.0450	0.000	1	124.0313	3.489	12	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PO3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COP)	O(CC[6a]P)	C(C[6a]C[6a]2)(PO3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COP){1|C<3>,2|H<1>}	O(CC[6a]P)	123.8980	0.000	1	123.8980	0.000	1	124.0313	3.489	12	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SIr2C)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COS)	O(CC[6a]S)	C(C[6a]C[6a]2)(SIr2C)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(COS){1|C<3>,2|H<1>}	O(CC[6a]S)	131.6710	0.000	1	131.6710	0.000	1	131.6710	0.000	1	120.7032	1.472	2553	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:2:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	118.9515	6.066	2	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:2:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6]C[6,6]C[6]S)(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6]C[6]S)(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]C[6])	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	118.9515	6.066	2	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	B[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CB[6]O)	O(CC[6a]B[6])	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CB[6]O){1|C<3>,2|H<1>}	O(CC[6a]B[6])	118.5067	0.470	7	118.5067	0.221	7	118.4290	0.238	8	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	B[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CB[6]O)	O(CC[6a]B[6])	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CB[6]O){1|C<3>,2|H<1>}	O(CC[6a]B[6])	117.8850	0.000	1	117.8850	0.000	1	118.4290	0.238	8	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5,6]C[6a]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(CC[5,6]C[6a]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4540	0.000	1	120.4540	0.000	1	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.1690	0.000	1	120.1690	0.000	1	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2P[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(CC[6a]2P[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.6560	0.000	1	119.6560	0.000	1	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(CC[6a]C[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.9000	0.000	1	119.9000	0.000	1	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	119.1250	0.000	1	119.1250	0.000	1	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	O(CC[6a]C)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	121.4380	0.000	1	121.4380	0.000	1	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO)	O(CC[6a]C)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C)	119.4065	0.456	2	119.4065	0.208	2	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO)	O(CC[6a]C)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	O(CC[6a]C)	120.4435	0.477	2	120.4435	0.228	2	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CN[5a]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	O(CC[6a]C)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C)	120.7670	0.000	1	120.7670	0.000	1	120.1099	0.519	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,5,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5,5]O)	O(CC[3,5,5]C[6a])	C(C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5,5]O){1|C<3>,2|H<1>}	O(CC[3,5,5]C[6a])	120.9315	0.459	4	120.9315	0.210	4	120.9315	0.210	4	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5,6]O)	O(CC[3,5,6]C[6a])	C(C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5,6]O){1|C<3>,2|H<1>}	O(CC[3,5,6]C[6a])	120.5325	0.245	2	120.5325	0.060	2	120.8914	0.126	5	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5,6]O)	O(CC[3,5,6]C[6a])	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5,6]O){1|C<3>,2|H<1>}	O(CC[3,5,6]C[6a])	121.1307	0.090	3	121.1307	0.008	3	120.8914	0.126	5	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5]O)	O(CC[3,5]C[6a])	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5]O){1|C<3>,2|H<1>}	O(CC[3,5]C[6a])	121.8167	0.650	3	121.8167	0.423	3	121.2339	0.633	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3,5]O)	O(CC[3,5]C[6a])	C(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3,5]O){1|C<3>,2|H<1>}	O(CC[3,5]C[6a])	121.8570	0.000	1	121.8570	0.000	1	121.2339	0.633	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5]O)	O(CC[3,5]C[6a])	C(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5]O){1|C<3>,2|H<1>}	O(CC[3,5]C[6a])	120.5408	0.768	4	120.5408	0.589	4	121.2339	0.633	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,5]C[3,5]C[3]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5]O)	O(CC[3,5]C[6a])	C(C[3,5]C[3,5]C[3]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5]O){1|C<3>,2|H<1>}	O(CC[3,5]C[6a])	120.9150	0.000	1	120.9150	0.000	1	121.2339	0.633	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5]O)	O(CC[3,5]C[6a])	C(C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,5]O){1|C<3>,2|H<1>}	O(CC[3,5]C[6a])	121.5940	0.156	2	121.5940	0.024	2	121.2339	0.633	11	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,6]O)	O(CC[3,6]C[6a])	C(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3,6]O){1|C<3>,2|H<1>}	O(CC[3,6]C[6a])	121.0973	0.859	3	121.0973	0.737	3	121.0973	0.737	3	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,5,6,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,5,6,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[3]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C[3])	122.6730	0.000	2	122.6730	0.000	2	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,5]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,5]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	121.3440	1.346	2	121.3440	1.813	2	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,5]C[3,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,5]C[3,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	121.9150	0.000	1	121.9150	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	121.3273	0.325	8	121.3273	0.105	8	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	121.9544	1.282	5	121.9544	1.644	5	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,5]N[3,5]I)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,5]N[3,5]I)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	124.5600	0.000	1	124.5600	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,5]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,5]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	121.7475	0.814	2	121.7475	0.662	2	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	121.8815	0.284	2	121.8815	0.080	2	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	120.4320	0.000	1	120.4320	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	119.4890	0.000	1	119.4890	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	120.4510	0.000	1	120.4510	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,6]N[3,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3,6]N[3,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	123.3490	0.000	1	123.3490	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]N[3]Br)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]N[3]Br)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	122.5600	0.000	1	122.5600	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	122.7337	0.758	3	122.7337	0.575	3	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	120.6030	0.570	2	120.6030	0.325	2	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]Cl)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]Cl)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	123.8870	0.211	2	123.8870	0.044	2	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CC[3]O){4|C<3>}	O(CC[6a]C[3])	121.8940	0.000	1	121.8940	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[3]O){1|H<1>,2|C<3>}	O(CC[6a]C[3])	120.1410	0.000	1	120.1410	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[3])	121.2527	0.460	4	121.2527	0.212	4	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	120.4460	0.000	1	120.4460	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[3])	121.8355	0.274	2	122.3340	0.287	14	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	122.4440	0.546	11	122.3340	0.287	14	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|O<2>}	O(CC[6a]C[3])	122.1210	0.000	1	122.3340	0.287	14	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]O[3]S)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[3]O[3]S)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	122.5812	0.883	4	122.5812	0.779	4	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[6a]C[3]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[6a]C[3]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	120.6433	0.326	6	120.6433	0.106	6	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O)	O(CC[6a]C[3])	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	121.6840	0.000	1	121.6840	0.000	1	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]N[5a]C[3]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[3]O)	O(CC[6a]C[3])	C(C[3]N[5a]C[3]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[3]O){1|C<3>,2|H<1>}	O(CC[6a]C[3])	119.9755	0.453	2	119.9755	0.205	2	121.7624	1.226	69	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3x5]C[5,5]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x5]O)	O(CC[3x5]C[6a])	C(C[3x5]C[5,5]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x5]O){1|C<3>,2|H<1>}	O(CC[3x5]C[6a])	118.4510	0.091	2	118.4510	0.008	2	118.4510	0.008	2	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3x6]C[6,6,6a]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	O(CC[3x6]C[6a])	C(C[3x6]C[6,6,6a]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	O(CC[3x6]C[6a])	117.6340	0.000	1	117.6340	0.000	1	118.9789	2.230	13	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	O(CC[3x6]C[6a])	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	O(CC[3x6]C[6a])	118.1350	2.328	2	118.1350	5.419	2	118.9789	2.230	13	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]O)	O(CC[3x6]C[6a])	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]O){1|C<3>,2|H<1>}	O(CC[3x6]C[6a])	118.8270	0.000	1	118.8270	0.000	1	118.9789	2.230	13	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3x6]O)	O(CC[3x6]C[6a])	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3x6]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[3x6]C[6a])	118.3860	0.000	1	118.3860	0.000	1	118.9789	2.230	13	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	O(CC[3x6]C[6a])	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,1|H<1>,1|N<3>}	O(CC[3x6]C[6a])	117.2200	0.000	1	119.4511	2.279	8	118.9789	2.230	13	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	O(CC[3x6]C[6a])	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	O(CC[3x6]C[6a])	119.7699	1.308	7	119.4511	2.279	8	118.9789	2.230	13	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[4,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4,5]C[4,5,5]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4,5]O)	O(CC[4,5]C[6a])	C(C[4,5]C[4,5,5]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4,5]O){1|C<3>,2|H<1>}	O(CC[4,5]C[6a])	118.7260	0.000	1	118.7260	0.000	1	118.7260	0.000	1	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[4]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4,5]C[6a]O[4])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[4]C[4,5]C[6a]O[4])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	120.9730	0.000	1	120.9730	0.000	1	121.6590	0.176	12	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[4]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4,5]N[4]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[4]C[4,5]N[4]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	121.4377	0.312	3	121.4377	0.098	3	121.6590	0.176	12	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[4]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	121.6940	0.351	2	121.6940	0.123	2	121.6590	0.176	12	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[4]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	122.3070	0.000	1	122.3070	0.000	1	121.6590	0.176	12	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[4]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4]S[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[4]C[4]S[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	121.6850	0.313	4	121.6850	0.098	4	121.6590	0.176	12	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[4]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]N[4,5]C[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O)	O(CC[6a]C[4])	C(C[4]N[4,5]C[4]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[4]O){1|C<3>,2|H<1>}	O(CC[6a]C[4])	122.1870	0.000	1	122.1870	0.000	1	121.6590	0.176	12	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5,5,6]O)	O(CC[5,5,6]C[6a])	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5,5,6]O){1|C<3>,2|H<1>}	O(CC[5,5,6]C[6a])	123.1530	0.000	1	123.1530	0.000	1	123.1530	0.000	1	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,5]C[3,5,5]C[3x5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,5]O)	O(CC[5,5]C[6a])	C(C[5,5]C[3,5,5]C[3x5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,5]O){1|C<3>,2|H<1>}	O(CC[5,5]C[6a])	119.1400	0.000	1	119.1400	0.000	1	119.3284	0.180	9	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5,5]O)	O(CC[5,5]C[6a])	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5,5]O){1|C<3>,2|H<1>}	O(CC[5,5]C[6a])	119.4365	0.223	2	119.4365	0.050	2	119.3284	0.180	9	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,5]O)	O(CC[5,5]C[6a])	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,5]O){1|C<3>,2|H<1>}	O(CC[5,5]C[6a])	118.5200	0.000	1	118.5200	0.000	1	119.3284	0.180	9	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,5]O)	O(CC[5,5]C[6a])	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,5]O){1|C<3>,2|H<1>}	O(CC[5,5]C[6a])	119.2513	0.262	3	119.2513	0.068	3	119.3284	0.180	9	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,5]O)	O(CC[5,5]C[6a])	C(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,5]O){1|C<3>,2|H<1>}	O(CC[5,5]C[6a])	119.8970	0.000	1	119.8970	0.000	1	119.3284	0.180	9	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5,5]O)	O(CC[5,5]C[6a])	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5,5]O){1|C<3>,2|H<1>}	O(CC[5,5]C[6a])	119.7720	0.000	1	119.7720	0.000	1	119.3284	0.180	9	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,6,6]O)	O(CC[5,6,6]C[6a])	C(C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,6,6]O){1|C<3>,2|H<1>}	O(CC[5,6,6]C[6a])	119.9890	0.168	3	119.9890	0.028	3	119.9890	0.028	3	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,6]O)	O(CC[5,6]C[6a])	C(C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,6]O){1|C<3>,2|H<1>}	O(CC[5,6]C[6a])	121.1510	0.000	1	121.1510	0.000	1	119.6837	1.869	18	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,6]O)	O(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,6]O){1|C<3>,2|H<1>}	O(CC[5,6]C[6a])	120.4818	0.420	4	120.4818	0.176	4	119.6837	1.869	18	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5,6]O)	O(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5,6]O){1|H<1>,2|C<3>}	O(CC[5,6]C[6a])	121.9000	0.000	1	121.9000	0.000	1	119.6837	1.869	18	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5,6]O)	O(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5,6]O){1|C<3>,2|H<1>}	O(CC[5,6]C[6a])	120.3860	0.000	1	118.0810	1.788	5	119.6837	1.869	18	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5,6]O)	O(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5,6]O){2|Br<1>,1|C<3>}	O(CC[5,6]C[6a])	117.5048	0.413	4	118.0810	1.788	5	119.6837	1.869	18	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,6]O)	O(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5,6]O){1|C<3>,2|H<1>}	O(CC[5,6]C[6a])	119.8463	0.493	7	119.8463	0.243	7	119.6837	1.869	18	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.9720	0.000	1	119.9720	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5,6a]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5,6]C[5,6a]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[5])	120.7740	0.000	1	120.7740	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5,6a]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5,6]C[5,6a]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.0560	0.385	3	121.0560	0.148	3	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.5072	0.701	18	120.5072	0.492	18	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[5])	121.1710	0.000	1	121.1710	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[5]O){1|H<1>,2|C<3>}	O(CC[6a]C[5])	119.1847	0.080	3	119.1847	0.006	3	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.6450	0.143	2	119.6450	0.020	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C[5])	121.0000	0.000	1	120.3932	0.876	68	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[5])	121.9510	0.000	1	120.3932	0.876	68	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.3573	0.933	65	120.3932	0.876	68	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C[5])	120.5610	0.000	1	120.3932	0.876	68	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5a]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[5a]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.9980	0.000	2	120.9980	0.000	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.6545	0.566	2	119.6545	0.321	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]N[5,5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]N[5,5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.4412	0.357	5	121.4412	0.127	5	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	122.7040	0.000	1	122.7040	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.1360	0.000	1	121.1360	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[5])	120.4295	0.569	2	120.4295	0.324	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	122.3050	0.000	1	122.3050	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.6220	0.882	5	119.6220	0.778	5	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]N[5,5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]N[5,5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.1190	0.069	3	121.1190	0.005	3	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.5800	0.169	3	120.5800	0.028	3	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]O[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]O[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.0595	0.153	2	121.0595	0.024	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.4900	0.602	2	121.4900	0.363	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.0127	1.008	3	120.0127	1.016	3	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.4276	0.748	7	120.4276	0.560	7	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.8440	0.000	1	120.8440	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.7560	0.000	1	121.7560	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[5])	122.3580	0.000	1	122.3580	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.5830	0.000	1	121.5830	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]P[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5,6a]P[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.6440	0.000	1	120.6440	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Cr)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Cr)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.1000	0.000	1	120.1000	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]O){1|H<1>,2|C<3>}	O(CC[6a]C[5])	121.3930	0.000	1	121.3930	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.3280	0.000	1	119.3280	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.2640	0.410	2	120.2640	0.168	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.0150	0.049	2	120.0150	0.002	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.9871	1.283	7	119.7100	2.026	8	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]C[5])	117.7700	0.000	1	119.7100	2.026	8	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Mn)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Mn)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.2250	0.000	1	120.2250	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Mn)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Mn)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	118.9680	0.000	1	120.0745	2.449	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Mn)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Mn)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|H<1>,2|C<3>}	O(CC[6a]C[5])	121.1810	0.000	1	120.0745	2.449	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.4070	0.103	2	120.4070	0.011	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.8240	0.780	7	119.8240	0.609	7	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.1400	0.510	14	121.1400	0.260	14	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.1375	0.415	4	121.1375	0.172	4	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.1454	0.503	10	121.1454	0.253	10	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O){1|H<1>,2|C<3>}	O(CC[6a]C[5])	121.2570	0.000	1	121.2570	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.7289	0.500	35	121.7289	0.250	35	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]O){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C[5])	121.5380	0.000	1	121.5380	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.6250	0.000	1	120.6250	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.4420	0.550	2	120.4420	0.303	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O){1|H<1>,2|C<3>}	O(CC[6a]C[5])	120.2820	0.000	1	120.2820	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	118.5950	0.000	1	118.5950	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.9180	0.000	1	119.9180	0.000	1	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.4893	0.467	3	121.4893	0.218	3	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]O)	O(CC[6a]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]O){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C[5])	120.2340	1.280	2	120.2340	1.638	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	120.4319	0.848	7	120.4319	0.719	7	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	121.3190	0.624	8	121.3190	0.389	8	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	O(CC[6a]C[5])	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	O(CC[6a]C[5])	119.9585	1.336	2	119.9585	1.784	2	120.7082	0.930	261	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]O){1|N<2>,2|C<3>,2|H<1>}	O(CC[6,6]C[6a])	119.9930	0.000	1	119.9930	0.000	1	119.9930	0.000	1	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	118.2640	0.525	3	118.2640	0.276	3	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	118.2790	0.000	1	118.2790	0.000	1	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	119.8371	0.453	8	119.8371	0.205	8	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[5,3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6,6]C[6a])	117.9290	0.000	1	117.9290	0.000	1	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[5,3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	119.6830	0.000	1	119.6830	0.000	1	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	119.5265	0.121	2	119.5265	0.015	2	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	118.9625	0.153	2	118.9625	0.024	2	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	113.6540	0.000	1	113.6540	0.000	1	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	120.2680	0.000	1	120.2680	0.000	1	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	118.5055	0.095	2	118.5055	0.009	2	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	O(CC[6,6]C[6a])	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	O(CC[6,6]C[6a])	119.7190	0.911	9	119.7190	0.830	9	119.1859	1.762	31	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.4865	0.279	11	120.4865	0.078	11	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.3124	0.855	18	120.3124	0.731	18	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.8240	0.000	1	121.8240	0.000	1	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.4010	0.421	2	121.4010	0.178	2	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]S[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[5,6]S[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.4850	0.318	2	121.4850	0.101	2	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.4673	1.014	3	119.4673	1.028	3	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.0421	0.844	7	120.0421	0.713	7	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]S[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6]S[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.1390	1.302	2	120.1390	1.696	2	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.9797	0.660	7	119.9797	0.436	7	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.0078	0.821	8	120.0078	0.674	8	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]O){2|C<3>,2|H<1>,2|O<2>}	O(CC[6a]C[6])	121.9190	0.000	2	121.9190	0.000	2	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]2Ru)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]2Ru)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.2100	0.000	1	121.2100	0.000	1	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.4794	0.988	5	121.4794	0.977	5	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.6990	0.735	6	121.6990	0.541	6	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]C[6])	124.1880	0.000	1	124.1880	0.000	1	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]S[6]Cl)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]S[6]Cl)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.6680	0.000	1	120.6680	0.000	1	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	120.6277	0.955	12	120.6277	0.911	12	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	118.5580	0.000	1	118.5580	0.000	1	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	119.4875	0.842	2	119.4875	0.709	2	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.2500	0.000	1	121.2500	0.000	1	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]N[6]O[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	O(CC[6a]C[6])	C(C[6]N[6]O[6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	O(CC[6a]C[6])	121.3990	0.000	1	121.3990	0.000	1	120.5604	1.070	94	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	Ge[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CGe[6]O)	O(CC[6a]Ge[6])	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CGe[6]O){1|C<3>,2|H<1>}	O(CC[6a]Ge[6])	120.0200	0.000	1	120.0200	0.000	1	120.0490	0.002	2	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	4:3:1:	3:3:3:	3:	Ge[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(CGe[6]O)	O(CC[6a]Ge[6])	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(CGe[6]O){1|C<3>,2|H<1>}	O(CC[6a]Ge[6])	120.0780	0.000	1	120.0780	0.000	1	120.0490	0.002	2	120.6106	1.539	559	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	5:3:1:	3:3:3:	3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-1:	C-3:C[6a]-3:C[6a]-3:	C-3:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(O)	C[6a](CC[3x3,4,3x5,14x6]O)(C[6a]C[6a]H)2	O(CC[3x3,4,3x5,14x6]C[6a])	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(O)	C[6a](CC[3x3,4,3x5,14x6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[3x3,4,3x5,14x6]C[6a])	121.4265	0.620	2	121.4265	0.385	2	121.4265	0.385	2	121.4265	0.385	2	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	6:3:1:	3:3:2:	3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	C-3:C[6a]-3:N[6a]-2:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a])	O(CC[5x3,5x5,20x6]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	O(CC[5x3,5x5,20x6]C[6a])	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	6:3:1:	3:3:3:	3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	C-3:C[6a]-3:C[6a]-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2	O(CC[5x3,5x5,20x6]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	O(CC[5x3,5x5,20x6]C[6a])	120.7600	0.000	1	121.0862	0.347	5	120.9396	0.307	7	120.9396	0.307	7	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	6:3:1:	3:3:3:	3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	C-3:C[6a]-3:C[6a]-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2	O(CC[5x3,5x5,20x6]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[5x3,5x5,20x6]C[6a])	121.1677	0.647	4	121.0862	0.347	5	120.9396	0.307	7	120.9396	0.307	7	121.0324	6.767	31476	121.0324	6.767	31476
930	643	863	0:SP2_SP2_SP2	C	C[6a]	O	6:3:1:	3:3:3:	3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	C-3:C[6a]-3:C[6a]-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2	O(CC[5x3,5x5,20x6]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	O(CC[5x3,5x5,20x6]C[6a])	120.5730	0.276	2	120.5730	0.076	2	120.9396	0.307	7	120.9396	0.307	7	121.0324	6.767	31476	121.0324	6.767	31476