930	474	899	0:SP2_SP-NON_SP3	C	C[5,6]	C	4:2:1:	4:4:4:3:	3:	C[5,6]-4:O-2:C-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(OH)(C)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO)	C(CC[5,6]O)	C(C[5,6]C[5,6]C[5]C[6])(OH)(C)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO){2|C<4>,2|H<1>}	C(CC[5,6]O)	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1
930	474	909	0:SP2_SP2_SP3	C	C[5,6]	S	4:2:1:	4:4:3:1:	3:4:	C[5,6]-4:S-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(SC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H)	S(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6]H)(SC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H){3|C<3>,4|H<1>}	S(CC[5,6]O)(CH3)	112.8100	0.000	1	112.8100	0.000	1	113.6950	1.566	2	113.6950	1.566	2	113.6950	1.566	2	113.0858	0.836	11
930	474	909	0:SP2_SP2_SP3	C	C[5,6]	S	4:2:1:	4:4:3:1:	3:4:	C[5,6]-4:S-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(SC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H)	S(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6]H)(SC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H){2|C<4>,3|O<2>,4|H<1>}	S(CC[5,6]O)(CH3)	114.5800	0.000	1	114.5800	0.000	1	113.6950	1.566	2	113.6950	1.566	2	113.6950	1.566	2	113.0858	0.836	11
930	474	909	0:SP2_SP2_SP3	C	C[5]	S	4:2:1:	4:2:3:1:	3:3:	C[5]-4:S-2:O-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H)	S(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(CC[5]O)	113.4045	0.046	2	113.4045	0.002	2	113.0020	0.752	7	113.0020	0.752	7	112.9504	0.736	9	113.0858	0.836	11
930	474	909	0:SP2_SP2_SP3	C	C[5]	S	4:2:1:	4:2:3:1:	3:3:	C[5]-4:S-2:O-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	S(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(CC[5]O)	111.8755	0.738	2	112.8025	1.342	4	113.0020	0.752	7	113.0020	0.752	7	112.9504	0.736	9	113.0858	0.836	11
930	474	909	0:SP2_SP2_SP3	C	C[5]	S	4:2:1:	4:2:3:1:	3:3:	C[5]-4:S-2:O-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	S(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	S(C[6a]C[6a]2)(CC[5]O)	113.8790	0.000	1	112.8025	1.342	4	113.0020	0.752	7	113.0020	0.752	7	112.9504	0.736	9	113.0858	0.836	11
930	474	909	0:SP2_SP2_SP3	C	C[5]	S	4:2:1:	4:2:3:1:	3:3:	C[5]-4:S-2:O-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	S(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<2>}	S(C[6a]C[6a]2)(CC[5]O)	113.5800	0.000	1	112.8025	1.342	4	113.0020	0.752	7	113.0020	0.752	7	112.9504	0.736	9	113.0858	0.836	11
930	474	909	0:SP2_SP2_SP3	C	C[5]	S	4:2:1:	4:2:3:1:	3:3:	C[5]-4:S-2:O-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H)	S(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]O[5]H)(SC[6a])(O)	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	S(C[6a]C[6a]2)(CC[5]O)	112.9950	0.000	1	112.9950	0.000	1	113.0020	0.752	7	113.0020	0.752	7	112.9504	0.736	9	113.0858	0.836	11
930	474	909	0:SP2_SP2_SP3	C	C[5]	S	4:2:1:	4:3:3:1:	3:3:	C[5]-4:S-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[5]C[5]N[5]H)(SC[6a])(O)	C[5](C[5]O[5]CH)(N[5]C[5]H)(COS)(H)	S(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]N[5]H)(SC[6a])(O)	C[5](C[5]O[5]CH)(N[5]C[5]H)(COS)(H){1|O<1>}	S(C[6a]C[6a]2)(CC[5]O)	111.9670	0.000	1	111.9670	0.000	1	111.9670	0.000	1	111.9670	0.000	1	112.9504	0.736	9	113.0858	0.836	11
930	474	909	0:SP2_SP2_SP3	C	C[5]	S	4:2:1:	4:3:4:3:	3:3:	C[5]-4:S-2:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C-3:	C(C[5]C[5]2C)(SC[6a])(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS)	S(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2C)(SC[6a])(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS){1|C<3>,3|C<4>}	S(C[6a]C[6a]2)(CC[5]O)	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	112.9504	0.736	9	113.0858	0.836	11
930	474	924	0:SP2_SP-NON_SP3	C	C[5]	Br	4:2:1:	4:4:3:1:	3:	C[5]-4:C-2:Br-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CH)(Br)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H)	Br(CC[5]C)	C(C[5]C[5]2H)(CH)(Br)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	Br(CC[5]C)	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	112.4638	4.624	5	112.4638	4.624	5
930	474	924	0:SP2_SP-NON_SP3	C	C[5]	Br	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:Br-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H)	Br(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H){1|C<4>,2|N<3>}	Br(CC[5]C)	109.7920	0.000	1	109.7920	0.000	1	109.7920	0.000	1	112.0275	9.995	2	112.4638	4.624	5	112.4638	4.624	5
930	474	924	0:SP2_SP-NON_SP3	C	C[5]	Br	4:3:1:	4:2:3:1:	3:	C[5]-4:C[5]-3:Br-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(Br)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H)	Br(CC[5]2)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(Br)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H){1|C<3>,1|H<1>,2|C<4>}	Br(CC[5]2)	114.2630	0.000	1	114.2630	0.000	1	114.2630	0.000	1	112.0275	9.995	2	112.4638	4.624	5	112.4638	4.624	5
930	474	924	0:SP2_SP-NON_SP3	C	C[5]	Br	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:Br-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCC)(Br)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H)	Br(CC[5]C)	C(C[5]C[5]N[5]H)(CCC)(Br)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H){4|H<1>}	Br(CC[5]C)	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	112.4638	4.624	5	112.4638	4.624	5
930	474	924	0:SP2_SP-NON_SP3	C	C[5]	Br	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:Br-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(Br)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H)	Br(CC[5]C)	C(C[5]C[5]2H)(CHH)(Br)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	Br(CC[5]C)	114.9420	0.000	1	114.9420	0.000	1	114.9420	0.000	1	114.9420	0.000	1	112.4638	4.624	5	112.4638	4.624	5
930	474	930	0:SP2_SP2_SP3	C	C[5,5,6,6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5,5,6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C-3:H-1:H-1:	C(C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6])(CHH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH)	C(CC[5,5,6,6]H)(H)2	C(C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6])(CHH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH){2|C<3>,3|C<4>,5|H<1>}	C(CC[5,5,6,6]H)(H)2	125.1320	0.000	1	125.1320	0.000	1	125.1320	0.000	1	125.1320	0.000	1	125.1320	0.000	1	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5,6]	C	4:3:1:	4:4:2:3:	3:1:1:	C[5,5,6]-4:C-3:O-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C-3:H-1:H-1:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CHH)(O)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	C(CC[5,5,6]O)(H)2	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CHH)(O)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){1|C<3>,2|C<4>}	C(CC[5,5,6]O)(H)2	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	125.6142	24.202	6	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5,6]	C	4:3:1:	4:4:2:3:	3:3:1:	C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C-3:C-3:H-1:	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH)	C(CC[5,5,6]H)(CCH)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH){1|N<3>,1|O<1>,2|H<1>}	C(CC[5,5,6]H)(CCH)(H)	126.6160	0.000	1	126.6160	0.000	1	126.6160	0.000	1	126.6160	0.000	1	125.6142	24.202	6	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5,6]	C	4:3:1:	4:4:2:3:	3:4:1:	C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-3:	C-3:C-4:H-1:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH)	C(CC[5,5,6]H)(CCHH)(H)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH){1|C<4>,1|O<1>,4|H<1>}	C(CC[5,5,6]H)(CCHH)(H)	132.3710	0.000	1	132.3710	0.000	1	132.3710	0.000	1	132.3710	0.000	1	125.6142	24.202	6	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5,6]	C	4:3:1:	4:4:2:3:	3:4:4:	C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-3:	C-3:C-4:C-4:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCC)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH)	C(CC[5,5,6]H)(CCCH)(CCHH)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCC)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH){1|C<4>,1|O<1>,4|H<1>}	C(CC[5,5,6]H)(CCCH)(CCHH)	128.9420	0.000	1	128.9420	0.000	1	128.9420	0.000	1	128.9420	0.000	1	125.6142	24.202	6	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5,6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5,5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH)	C(CC[5,5,6]H)(H)2	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(CC[5,5,6]H)(H)2	125.3910	0.000	1	125.3910	0.000	1	125.3910	0.000	1	125.3910	0.000	1	125.6142	24.202	6	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5,6]	C	4:4:3:	4:4:3:3:	3:1:1:	C[5,5,6]-4:C-4:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C-3:H-1:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CHH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CCC)	C(CC[5,5,6]C)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CHH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CCC){4|H<1>}	C(CC[5,5,6]C)(H)2	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	125.6142	24.202	6	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:3:1:	3:4:2:3:	3:3:1:	C[5,5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(CC[5,5]H)(H)	125.4023	0.660	3	125.4023	0.435	3	125.4023	0.435	3	125.4023	0.435	3	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:3:1:	3:4:4:3:	3:1:1:	C[5,5]-4:C-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[5,5]C[5,5]C[5]2)(CHH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH)	C(CC[5,5]H)(H)2	C(C[5,5]C[5,5]C[5]2)(CHH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH){1|S<4>,5|H<1>}	C(CC[5,5]H)(H)2	127.3135	0.005	2	127.3135	0.000	2	127.3135	0.000	2	127.3135	0.000	2	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:3:1:	4:3:2:3:	3:4:1:	C[5,5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C-3:C-4:H-1:	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	C(CC[5,5]H)(CCHH)(H)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C(CC[5,5]H)(CCHH)(H)	124.0140	0.000	1	124.0140	0.000	1	124.6137	0.421	3	124.6137	0.421	3	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:3:1:	4:3:2:3:	3:4:1:	C[5,5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C-3:C-4:H-1:	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	C(CC[5,5]H)(CH3)(H)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C(CC[5,5]H)(CH3)(H)	124.9135	0.549	2	124.9135	0.302	2	124.6137	0.421	3	124.6137	0.421	3	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5,5]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H)	C(CC[5,5]H)(H)2	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	C(CC[5,5]H)(H)2	123.2670	0.000	1	123.2670	0.000	1	124.8803	2.013	3	124.8803	2.013	3	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5,5]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H)	C(CC[5,5]H)(H)2	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	C(CC[5,5]H)(H)2	125.6870	0.349	2	125.6870	0.122	2	124.8803	2.013	3	124.8803	2.013	3	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:3:2:	4:4:3:2:	3:4:3:	C[5,5]-4:C-3:C-2:	C[5,5,6]-4:Ga[5,5,6]-4:C-3:C-2:	C-3:Si-4:Ga-3:	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC)	C(CC[5,5]C)(SiC3)(GaII)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC){3|I<1>}	C(CC[5,5]C)(SiC3)(GaII)	126.1910	0.000	2	126.1910	0.000	2	126.1910	0.000	2	126.1910	0.000	2	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:3:3:	3:4:4:3:	3:1:1:	C[5,5]-4:C[6a]-3:C-3:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]2)(CHH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(CC[6a]C)	C(CC[5,5]C[6a])(H)2	C(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]2)(CHH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(CC[6a]C){2|O<1>,4|H<1>}	C(CC[5,5]C[6a])(H)2	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,5]	C	4:4:3:	4:4:3:3:	3:1:1:	C[5,5]-4:C-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:N[5a]-3:C-3:	C-3:H-1:H-1:	C(C[5,5]C[5,5,6]2N[5a])(CH3)(CHH)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC)	C(CC[5,5]C)(H)2	C(C[5,5]C[5,5,6]2N[5a])(CH3)(CHH)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(CC[5,5]C)(H)2	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	124.8410	4.369	15	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6,6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5,6,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-3:	C-3:H-1:H-1:	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(CHH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CCH)	C(CC[5,6,6]H)(H)2	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(CHH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CCH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C(CC[5,6,6]H)(H)2	128.0280	0.000	1	128.0280	0.000	1	128.0280	0.000	1	128.0280	0.000	1	128.0280	0.000	1	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	3:3:2:3:	3:3:1:	C[5,6]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[5,6]H)(H)	123.9830	0.000	1	123.9830	0.000	1	123.9830	0.000	1	123.9830	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	3:3:4:3:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH){1|O<2>,3|C<3>,5|H<1>}	C(CC[5,6]H)(H)2	126.9650	0.011	2	126.9650	0.000	2	126.9650	0.000	2	126.9650	0.000	2	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	3:3:4:3:	3:4:1:	C[5,6]-4:C-3:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C-3:C-4:H-1:	C(C[5,6]C[5a,6]N[5,6]C[5])(CCH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH)	C(CC[5,6]H)(CH3)(H)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(CC[5,6]H)(CH3)(H)	126.1500	0.000	1	126.1500	0.000	1	126.1500	0.000	1	126.1500	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	3:4:2:3:	3:3:1:	C[5,6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5,6]H)(H)	124.4895	1.327	2	124.4895	1.762	2	124.4895	1.762	2	124.4895	1.762	2	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH){1|C<4>,3|H<1>,8|C<3>}	C(C[6a]C[6a]2)(CC[5,6]H)(H)	125.1130	0.000	1	125.1130	0.000	1	125.1130	0.000	1	126.1463	1.371	3	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5,6]H)(H)	126.6630	1.068	2	126.6630	1.140	2	126.6630	1.140	2	126.1463	1.371	3	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:C-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C-3:N-3:O-1:	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO)	C(CC[5,6]O)(NCC)(O)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO){3|C<3>,5|H<1>}	C(CC[5,6]O)(NCC)(O)	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:3:2:3:	3:3:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C-3:C-3:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	C(CC[5,6]H)(CCO)(H)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	C(CC[5,6]H)(CCO)(H)	126.4450	0.000	1	126.4450	0.000	1	126.4450	0.000	1	126.4450	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C-3:H-1:	C[3x5,6]-4:N[5,6]-3:N[6]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(CC[5,6]H)(H)	123.8120	0.000	1	123.8120	0.000	1	123.8120	0.000	1	123.8120	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:3:4:3:	3:3:3:	C[5,6]-4:C-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH)	C(C[6a]C[6a]2)2(CC[5,6]H)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)2(CC[5,6]H)	134.0750	0.000	1	134.0750	0.000	1	134.0750	0.000	1	134.0750	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:2:3:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(CC[5,6]H)(H)2	127.1910	0.000	1	127.1910	0.000	1	127.1910	0.000	1	127.1910	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(CC[5,6]H)(H)2	123.6820	0.000	1	125.0113	1.366	3	124.3948	1.079	6	124.3948	1.079	6	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(CC[5,6]H)(H)2	125.6760	0.284	2	125.0113	1.366	3	124.3948	1.079	6	124.3948	1.079	6	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(CC[5,6]H)(H)2	123.5290	0.098	2	123.7783	0.191	3	124.3948	1.079	6	124.3948	1.079	6	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(CC[5,6]H)(H)2	124.2770	0.000	1	123.7783	0.191	3	124.3948	1.079	6	124.3948	1.079	6	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[5,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C-3:C-2:H-1:	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H)	C(CC[5,6]H)(CC)(H)	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H){3|C<4>,6|H<1>}	C(CC[5,6]H)(CC)(H)	125.0460	0.000	1	125.0460	0.000	1	125.0460	0.000	1	125.0460	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H){1|C<3>,1|C<4>,6|H<1>}	C(C[6a]C[6a]2)(CC[5,6]H)(H)	127.1180	0.000	1	127.1180	0.000	1	127.1180	0.000	1	127.4190	36.725	7	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(CC[5,6]H)(CCH)(H)	128.4980	0.038	2	128.4980	0.001	2	128.4980	0.001	2	127.4190	36.725	7	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[6]-3:C-3:H-1:	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C(C[6]C[6]2)(CC[5,6]H)(H)	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,1|O<1>,4|H<1>}	C(C[6]C[6]2)(CC[5,6]H)(H)	129.1705	4.576	2	130.8247	18.677	3	130.8247	18.677	3	127.4190	36.725	7	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[6]-3:C-3:H-1:	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C(C[6]C[6]2)(CC[5,6]H)(H)	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,6|H<1>}	C(C[6]C[6]2)(CC[5,6]H)(H)	134.1330	0.000	1	130.8247	18.677	3	130.8247	18.677	3	127.4190	36.725	7	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5,6]C[5,5,6]2H)(CCH)(O)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	C(CC[5,6]O)(CC[6a]H)(H)	C(C[5,6]C[5,5,6]2H)(CCH)(O)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C(CC[5,6]O)(CC[6a]H)(H)	115.3450	0.000	1	115.3450	0.000	1	115.3450	0.000	1	127.4190	36.725	7	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(CCH)(H)	C(CC[5,6]H)(CCCH)(CCHH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(CCH)(H){1|H<1>,2|C<3>}	C(CC[5,6]H)(CCCH)(CCHH)	125.8710	1.551	2	125.8710	2.407	2	125.8710	2.407	2	125.8710	2.407	2	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:2:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C-3:H-1:H-1:	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH){4|C<4>,4|H<1>}	C(CC[5,6]H)(H)2	126.1625	1.409	2	126.1625	1.986	2	126.1625	1.986	2	126.1625	1.986	2	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C-3:I-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C-3:S-3:H-1:	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH)	C(CC[5,6]I)(SC[6a]O)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH){3|C<4>,3|H<1>}	C(CC[5,6]I)(SC[6a]O)(H)	125.4720	0.000	1	125.4720	0.000	1	125.4720	0.000	1	125.4720	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:2:	3:4:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	C-3:C-4:H-1:	C(C[5,6]C[5,6]2O)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	C(CC[5,6]H)(CCCH)(H)	C(C[5,6]C[5,6]2O)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	C(CC[5,6]H)(CCCH)(H)	128.4670	0.000	1	128.4670	0.000	1	128.4670	0.000	1	128.4670	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:3:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH){1|H<1>,3|C<3>,3|C<4>}	C(CC[5,6]H)(H)2	129.2275	1.273	2	129.2275	1.622	2	129.2275	1.622	2	129.2275	1.622	2	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C-3:C-3:H-1:	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH)	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH){1|C<3>,1|O<1>,5|H<1>}	C(CC[5,6]H)(COO)(H)	129.9540	0.000	1	129.9540	0.000	1	129.9540	0.000	1	120.8835	24.646	6	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	C(CC[5,6]O)(CCH)(H)	116.4710	1.001	2	116.4710	1.003	2	119.0694	6.125	5	120.8835	24.646	6	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	C(CC[5,6]O)(CCH)(H)	120.8017	0.705	3	120.8017	0.497	3	119.0694	6.125	5	120.8835	24.646	6	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH)	C(CC[5,6]H)(CC[5]CC)(H)	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH){2|C<3>,2|C<4>,4|H<1>}	C(CC[5,6]H)(CC[5]CC)(H)	132.4290	0.000	1	132.4290	0.000	1	132.4290	0.000	1	132.4290	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(CC[5,6]H)(H)2	128.9640	0.000	1	128.9640	0.000	1	128.9640	0.000	1	128.5840	0.289	2	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	C(CC[5,6]H)(H)2	128.2040	0.000	1	128.2040	0.000	1	128.2040	0.000	1	128.5840	0.289	2	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(CCCH)(CCH)	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(CCCH)(CCH){1|H<1>,1|N<2>,5|C<3>}	C(CC[5,6]H)(CCH)(H)	130.0290	0.000	1	130.0290	0.000	1	130.0290	0.000	1	130.0290	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:2:	4:4:2:3:	3:1:1:	C[5,6]-4:C-3:O-2:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO)	C(CC[5,6]O)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO){1|H<1>,1|O<2>,5|C<3>}	C(CC[5,6]O)(H)2	123.6680	0.000	1	123.6680	0.000	1	123.6680	0.000	1	123.6680	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:2:	4:4:3:1:	3:4:1:	C[5,6]-4:C-3:N-2:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H)	C(CC[5,6]N)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H){1|C<3>,4|H<1>}	C(CC[5,6]N)(CCHH)(H)	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C-3:	C[5,6]-3:C[5]-4:B[6]-3:C-3:	C-3:C[6a]-3:C[5]-3:	C(C[5,6]C[5,6]B[6]C[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C)	C(CC[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C(C[5,6]C[5,6]B[6]C[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C){1|B<3>,3|C<3>,4|H<1>}	C(CC[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	122.9550	0.000	1	122.9550	0.000	1	122.9550	0.000	1	122.9550	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:3:3:	4:4:3:3:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C-3:O-2:O-1:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5])(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C)	C(CC[5,6]C[5])(OC)(O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5])(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C){1|C<3>,3|C<4>,3|H<1>}	C(CC[5,6]C[5])(OC)(O)	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:4:3:	2:2:4:3:	3:1:1:	C[5,6]-4:C-4:C-3:	O[5,6]-2:O[6]-2:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[5,6]O[5,6]C[5]O[6])(CH3)(CHH)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC)	C(CC[5,6]C)(H)2	C(C[5,6]O[5,6]C[5]O[6])(CH3)(CHH)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC){1|H<1>,3|C<3>}	C(CC[5,6]C)(H)2	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:4:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C-4:C-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C(CC[5,6]C)(CC[6]O)(H)	122.4477	0.436	3	122.4477	0.190	3	122.4477	0.190	3	122.4477	0.190	3	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:4:3:	4:4:2:3:	3:1:1:	C[5,6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C(CC[5,6]C)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C(CC[5,6]C)(H)2	121.6100	0.000	1	121.6100	0.000	1	121.9600	0.120	3	121.9600	0.120	3	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:4:3:	4:4:2:3:	3:1:1:	C[5,6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C(CC[5,6]C)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C(CC[5,6]C)(H)2	122.1350	0.239	2	122.1350	0.057	2	121.9600	0.120	3	121.9600	0.120	3	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C-4:C-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5,6]C[5,6]2H)(CH3)(CHH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H)	C(CC[5,6]C)(H)2	C(C[5,6]C[5,6]2H)(CH3)(CHH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(CC[5,6]C)(H)2	122.6330	1.274	6	122.6330	1.623	6	122.6330	1.623	6	122.6330	1.623	6	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5,6]	C	4:4:3:	4:4:4:3:	3:3:1:	C[5,6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC)	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,6|H<1>}	C(CC[5,6]C)(CC[6]O)(H)	120.9970	0.438	2	120.9970	0.192	2	120.9970	0.192	2	120.9970	0.192	2	124.5789	17.279	65	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	3:3:3:2:	3:3:1:	C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C)(OH)	C(C[6a]C[6a]2)(CC[5]2)(O)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C)(OH){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]2)(O)	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,6a]-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2N)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]H)(CC[5]C)	C(C[6a]C[6a]2)(CC[5]2)(O)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2N)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]H)(CC[5]C){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]2)(O)	114.9950	0.000	1	114.9950	0.000	1	114.9950	0.000	1	114.9950	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	3:3:3:4:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-3:C-4:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C[5](C[5]C[5]C)2(CC[6a]C)(CH3)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C[5](C[5]C[5]C)2(CC[6a]C)(CH3){2|C<4>}	C(CC[6a]C[5])(H)2	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:2:3:1:	3:1:1:	C[5a]-3:C[5]-4:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CHH)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CC[5a]C)(H)	C(CC[5a]C[5])(H)2	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CHH)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CC[5a]C)(H){1|H<1>,1|O<1>,3|C<4>}	C(CC[5a]C[5])(H)2	122.4010	0.000	1	122.4010	0.000	1	122.4010	0.000	1	122.4010	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(H){4|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.3965	0.367	2	120.3965	0.135	2	120.3965	0.135	2	120.3965	0.135	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:3:3:3:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO){4|H<1>}	C(CC[6a]C[5])(H)2	121.5370	0.000	1	121.5370	0.000	1	121.5370	0.000	1	120.8920	0.832	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:3:3:3:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO)	C(CC[6a]C[5])(H)(I)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO){4|H<1>}	C(CC[6a]C[5])(H)(I)	120.2470	0.000	1	120.2470	0.000	1	120.2470	0.000	1	120.8920	0.832	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	122.2490	0.000	1	122.5090	0.135	2	122.5082	0.699	6	122.5082	0.699	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	C(CC[6a]C[5])(H)2	122.7690	0.000	1	122.5090	0.135	2	122.5082	0.699	6	122.5082	0.699	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	C(CC[6a]C[5])(H)2	122.6990	0.151	2	122.6990	0.023	2	122.5082	0.699	6	122.5082	0.699	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|O<1>,3|C<3>}	C(CC[6a]C[5])(H)2	121.0530	0.000	1	122.3165	3.193	2	122.5082	0.699	6	122.5082	0.699	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	123.5800	0.000	1	122.3165	3.193	2	122.5082	0.699	6	122.5082	0.699	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	4:4:3:3:	3:2:2:	C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)	C[5](C[5]C[5]HH)2(CC[6a]C)(COO)	C(CC[6a]C[5])(CN)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)	C[5](C[5]C[5]HH)2(CC[6a]C)(COO){1|C<3>,1|H<1>}	C(CC[6a]C[5])(CN)2	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	3:4:3:	5:4:3:4:	3:4:1:	C[6a]-3:C[5]-4:C-3:	C[5]-5:C[5]-4:C-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)	C[5](C[5]C[5]PdCH)(C[5]C[5]PdC)(CC[6a]C)(CCHH)	C(CC[6a]C[5])(CH3)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)	C[5](C[5]C[5]PdCH)(C[5]C[5]PdC)(CC[6a]C)(CCHH){2|C<4>}	C(CC[6a]C[5])(CH3)(H)	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	2:2:4:3:	3:1:1:	C[5]-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[5]O[5]2C)(CHH)(H)	C[5](O[5]C[5])2(CC[5]CH)(CCH)	C(CC[5]H)(H)2	C(C[5]O[5]2C)(CHH)(H)	C[5](O[5]C[5])2(CC[5]CH)(CCH){4|H<1>}	C(CC[5]H)(H)2	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	122.0748	0.482	5	122.0748	0.233	5	122.0748	0.233	5	122.8879	1.671	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	N[5,5a]-3:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	122.8879	1.671	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	N[5]-3:O[5]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[5]N[5]O[5]H)(CCH)(H)	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]N[5]O[5]H)(CCH)(H)	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H){1|O<1>,2|C<4>}	C(CC[5]H)(CCH)(H)	125.3760	0.000	1	125.3760	0.000	1	125.3760	0.000	1	122.8879	1.671	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	N[5]-3:S[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	123.5630	0.000	1	123.5630	0.000	1	123.5630	0.000	1	122.8879	1.671	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5,6]-3:O[5]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6]O[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	C(CC[5]H)(CCHH)(H)	122.5500	0.000	1	122.5500	0.000	1	122.5500	0.000	1	122.5500	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CCHH)(CH3)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H){1|C<4>,2|H<1>}	C(CC[5]H)(CCHH)(CH3)	128.4595	0.866	2	128.4595	0.750	2	128.4595	0.750	2	128.4595	0.750	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	124.9360	0.000	1	124.9360	0.000	1	124.9360	0.000	1	124.9360	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]O[5]C)(CHH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]C)(CHH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|O<1>}	C(CC[5]H)(H)2	124.0470	0.000	1	124.0470	0.000	1	124.0470	0.000	1	124.0470	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C(CC[5]H)(CCH)(H)	127.5795	0.675	2	127.5795	0.456	2	126.6553	2.790	3	126.1502	1.998	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>}	C(CC[5]H)(CCO)(H)	124.8070	0.000	1	124.8070	0.000	1	126.6553	2.790	3	126.1502	1.998	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH){2|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.3925	0.706	2	125.3925	0.499	2	125.3925	0.499	2	126.1502	1.998	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:2:4:3:	3:4:4:	C[5]-4:C-3:H-1:	N[5]-3:S[5]-2:C-4:C-3:	C-3:C-4:C-4:	C(C[5]N[5]S[5]C)(CCC)(H)	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CCH)	C(CC[5]H)(CH3)2	C(C[5]N[5]S[5]C)(CCC)(H)	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CCH){1|N<3>}	C(CC[5]H)(CH3)2	129.1860	0.000	1	129.1860	0.000	1	129.1860	0.000	1	129.1860	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:2:3:	3:3:1:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.8400	0.000	1	125.8400	0.000	1	125.8400	0.000	1	126.9890	2.640	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:2:3:	3:3:1:	C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	128.1380	0.000	1	128.1380	0.000	1	128.1380	0.000	1	126.9890	2.640	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H){3|H<1>}	C(CC[5]H)(H)2	125.7530	0.000	1	125.7530	0.000	1	125.7530	0.000	1	125.7530	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	B[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(CCH)(H){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.6510	0.000	1	123.6510	0.000	1	123.6510	0.000	1	123.6590	3.246	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H){3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	124.0055	1.097	2	124.0055	1.203	2	124.0055	1.203	2	123.6590	3.246	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H)	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H){1|C<4>,2|H<1>}	C(CC[5]H)(CClC)(H)	123.9440	0.000	1	123.9440	0.000	1	123.4307	7.316	3	123.6590	3.246	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]S[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]S[5]C)(CCH)(H){1|C<4>}	C(CC[5]H)(CCH)(H)	120.5060	0.000	1	120.5060	0.000	1	123.4307	7.316	3	123.6590	3.246	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C(CC[5]H)(CCH)(H)	125.8420	0.000	1	125.8420	0.000	1	123.4307	7.316	3	123.6590	3.246	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H)	C(CC[5]H)(CCCO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H){1|C<3>,1|O<1>}	C(CC[5]H)(CCCO)(H)	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:2:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2O)(CC[6a]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2O)(CC[6a]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC){4|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	126.7730	0.000	1	126.7730	0.000	1	126.7730	0.000	1	126.7730	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5]N)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]H)(CCH)(H)	126.4240	0.000	1	126.4240	0.000	1	126.4240	0.000	1	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH)	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(CC[5]H)(CCO)(H)	122.5780	0.000	1	122.5780	0.000	1	122.5780	0.000	1	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C-3:I-1:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(I)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(I)	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH){1|O<1>,3|H<1>,4|C<3>}	C(CC[5]H)(CCH)(H)	129.1750	0.000	1	129.1750	0.000	1	129.1750	0.000	1	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO)	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO){1|C<3>,3|H<1>}	C(CC[5]H)(CClC)(H)	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO){2|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	129.3420	0.000	1	129.3420	0.000	1	129.3420	0.000	1	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH)	C(CC[5]H)(CBrC)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH){1|S<4>,2|C<3>,4|H<1>}	C(CC[5]H)(CBrC)(H)	126.6670	0.000	1	126.6670	0.000	1	126.1700	0.494	2	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH)	C(CC[5]H)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH){3|C<3>,3|H<1>}	C(CC[5]H)(CCH)(H)	125.6730	0.000	1	125.6730	0.000	1	126.1700	0.494	2	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:C-3:O-1:	C[5,6a]-3:C[5]-3:N-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5]N)(CCH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]O)(CCH)(H)	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	124.7333	18.348	9	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2	C(C[6a]C[6a]2)2(CC[5]H)	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[5]H)	130.8975	1.180	2	130.8975	1.393	2	130.8975	1.393	2	130.5913	0.978	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(CCH)	129.9790	0.000	1	129.9790	0.000	1	129.9790	0.000	1	130.5913	0.978	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]H)(H)2	128.4220	0.000	1	128.4220	0.000	1	128.4220	0.000	1	127.2913	0.899	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH){1|C<3>}	C(CC[5]H)(H)2	126.6410	0.737	2	126.6410	0.543	2	126.6410	0.543	2	127.2913	0.899	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]N[5])(CHH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]N[5])(CHH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|S<1>,2|H<1>,4|C<3>}	C(CC[5]H)(H)2	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	127.2913	0.899	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	128.5010	0.000	1	128.5010	0.000	1	128.5010	0.000	1	125.0510	13.194	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[3]-4:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH)	C(CC[5]H)(CCC)(H)	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH){4|C<3>,6|H<1>}	C(CC[5]H)(CCC)(H)	126.4960	0.000	1	126.4960	0.000	1	126.4960	0.000	1	125.0510	13.194	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:Si-4:C-3:	C-3:C-3:H-1:	C(C[5]C[5]2Si)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Si)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH){1|C<3>,2|H<1>}	C(CC[5]H)(CCH)(H)	126.4580	0.000	1	126.4580	0.000	1	126.4580	0.000	1	125.0510	13.194	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH){2|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	124.8110	0.000	1	124.8110	0.000	1	124.8110	0.000	1	125.0510	13.194	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:C-3:O-1:	C[5]-3:C[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(C[5]C[5]2C)(CCH)(O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2C)(CCH)(O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO){2|C<3>}	C(CC[5]O)(CCH)(H)	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	125.0510	13.194	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	3:3:2:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C-3:O-2:	C(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]C)2(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(OTi)	C(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]C)2(CH3)(CCH){2|C<4>}	C(C[6a]C[6a]2)(CC[5]H)(OTi)	131.2440	0.000	1	131.2440	0.000	1	131.2440	0.000	1	131.2440	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:3:4:3:	4:3:4:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-3:C-4:C-3:	C-4:C-3:C-4:	C(C[5]C[5]N[5]C)(CCC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH)	C(CC[6a]CH)(CC[5]H)(CH3)	C(C[5]C[5]N[5]C)(CCC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH){1|C<4>,1|O<1>,3|C<3>}	C(CC[6a]CH)(CC[5]H)(CH3)	129.9860	0.000	1	129.9860	0.000	1	129.9860	0.000	1	129.9860	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H){1|H<1>,1|N<3>,5|C<3>}	C(CC[5]H)(H)2	124.4410	0.000	1	124.4410	0.000	1	125.0200	0.337	4	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){1|O<2>,2|C<3>,2|H<1>}	C(CC[5]H)(H)2	125.8120	0.000	1	125.8120	0.000	1	125.0200	0.337	4	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(CC[5]H)(H)2	124.7980	0.000	1	124.7980	0.000	1	125.0200	0.337	4	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	C(CC[5]H)(H)2	125.0290	0.000	1	125.0290	0.000	1	125.0200	0.337	4	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H){1|C<4>,5|C<3>}	C(CC[5]H)(H)2	124.2900	0.000	1	124.2900	0.000	1	124.5974	0.432	5	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<2>,2|O<1>}	C(CC[5]H)(H)2	125.4160	0.000	1	125.4160	0.000	1	124.5974	0.432	5	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	C(CC[5]H)(H)2	124.0720	0.000	1	124.0720	0.000	1	124.5974	0.432	5	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H){4|C<3>}	C(CC[5]H)(H)2	125.1900	0.000	1	125.1900	0.000	1	124.5974	0.432	5	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]H)(H)2	124.0190	0.000	1	124.0190	0.000	1	124.5974	0.432	5	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[5]H)(H)2	125.8804	1.492	5	125.8804	2.226	5	125.7599	1.790	7	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H){1|H<1>,5|C<3>}	C(CC[5]H)(H)2	126.3480	0.000	1	126.3480	0.000	1	125.7599	1.790	7	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H){3|C<3>}	C(CC[5]H)(H)2	124.5690	0.000	1	124.5690	0.000	1	125.7599	1.790	7	125.2116	1.174	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:2:1:	C[5]-4:C-3:O-1:	C[5,5a]-3:C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,5a]C[5]H)(COO)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H)	C(CC[5]O)(OC)(O)	C(C[5]C[5,5a]C[5]H)(COO)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,6|C<3>}	C(CC[5]O)(OC)(O)	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,1|H<1>,5|C<3>}	C(CC[5]H)(COO)(H)	125.3065	0.047	2	125.3065	0.002	2	125.3065	0.002	2	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){1|O<2>,2|C<3>,2|H<1>}	C(CC[5]H)(CCO)(H)	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	124.7490	0.000	1	124.7490	0.000	1	125.3262	1.607	5	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	126.3575	0.902	2	126.3575	0.813	2	125.3262	1.607	5	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.5710	0.000	1	123.5710	0.000	1	125.3262	1.607	5	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H){3|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.5960	0.000	1	125.5960	0.000	1	125.3262	1.607	5	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	122.9110	0.000	1	122.9110	0.000	1	122.9110	0.000	1	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.6040	0.000	1	123.6040	0.000	1	123.2806	0.215	5	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.1997	0.493	4	123.1997	0.243	4	123.2806	0.215	5	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(COO)(H)	127.0160	1.280	2	127.0160	1.638	2	127.0160	1.638	2	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.5900	0.000	1	125.5900	0.000	1	125.5900	0.000	1	124.7209	2.300	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5]H)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C(C[6a]C[6a]2)2(CC[5]H)	C(C[5]C[5,6a]C[5]H)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)2(CC[5]H)	126.8830	0.000	1	126.8830	0.000	1	126.8830	0.000	1	126.8830	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:1:	3:4:4:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[5]N[5,6]C[5]H)(CCC)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]N[5,6]C[5]H)(CCC)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]H)(CH3)2	126.3337	0.382	3	126.3337	0.146	3	126.3337	0.146	3	126.3337	0.146	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH)	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH){2|H<1>,3|C<4>,4|C<3>}	C(CC[5]H)(H)2	128.9040	0.000	1	128.9040	0.000	1	128.9040	0.000	1	128.3490	2.459	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:3:	3:1:1:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH)	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH){2|C<3>,6|H<1>}	C(CC[5]H)(H)2	129.5640	0.000	1	129.5640	0.000	1	128.0715	4.455	2	128.3490	2.459	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:3:	3:1:1:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH)	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH){3|C<3>,5|H<1>}	C(CC[5]H)(H)2	126.5790	0.000	1	126.5790	0.000	1	128.0715	4.455	2	128.3490	2.459	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:3:	3:4:1:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH)	C(CC[5]H)(CH3)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH){2|C<3>,6|H<1>}	C(CC[5]H)(CH3)(H)	126.6442	0.302	4	126.6442	0.091	4	126.6442	0.091	4	126.5782	0.090	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:3:3:	3:4:1:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[6a]C[5]N[5])(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH)	C(CC[5]H)(CHHI)(H)	C(C[5]C[6a]C[5]N[5])(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH){2|H<1>,3|C<3>}	C(CC[5]H)(CHHI)(H)	126.3140	0.000	1	126.3140	0.000	1	126.3140	0.000	1	126.5782	0.090	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[5]H)(H)2	126.0390	0.000	1	126.0390	0.000	1	126.0390	0.000	1	126.1040	0.008	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	3:4:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH){1|S<4>,3|C<3>,3|H<1>}	C(CC[5]H)(H)2	126.1690	0.000	1	126.1690	0.000	1	126.1690	0.000	1	126.1040	0.008	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5,6]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(CC[5]H)(H)2	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]O[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]O[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	C(CC[5]H)(H)2	124.4430	0.000	1	124.4430	0.000	1	124.4430	0.000	1	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]O[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]O[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C(CC[5]H)(H)2	124.7070	0.682	2	124.7070	0.465	2	124.7070	0.465	2	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]H)(H)2	123.3270	0.000	1	123.3270	0.000	1	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	C(CC[5]H)(H)2	123.6970	0.000	1	123.6970	0.000	1	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(CC[5]H)(H)2	124.6850	0.000	1	124.6850	0.000	1	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|O<2>,3|C<4>}	C(CC[5]H)(H)2	124.3860	0.000	1	124.3860	0.000	1	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){3|C<3>}	C(CC[5]H)(H)2	125.1265	2.289	2	125.1265	5.239	2	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H){1|N<3>,1|O<2>,2|H<1>}	C(CC[5]H)(H)2	128.4860	0.000	1	128.4860	0.000	1	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	C(CC[5]H)(H)2	124.2120	0.000	1	124.2120	0.000	1	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){2|C<3>}	C(CC[5]H)(H)2	123.6515	0.148	2	123.6515	0.022	2	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(CC[5]H)(H)2	122.8220	0.000	1	122.8220	0.000	1	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	C(CC[5]H)(H)2	123.8230	0.331	2	123.8230	0.110	2	124.3705	2.429	13	124.4162	1.863	17	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:2:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-2:H-1:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CC)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|O<2>,3|H<1>}	C(CC[5]H)(CC)(H)	124.1860	0.000	1	124.1860	0.000	1	124.1860	0.000	1	124.1860	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:Br-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H)	C(C[6a]C[6a]2)(CC[5]Br)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H){1|C<4>,2|N<3>}	C(C[6a]C[6a]2)(CC[5]Br)(H)	124.7220	0.000	1	124.7220	0.000	1	124.7220	0.000	1	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.9783	2.153	6	123.9783	4.637	6	123.9783	4.637	6	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.7770	0.000	1	125.7770	0.000	1	125.7770	0.000	1	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H){2|C<3>}	C(CC[5]H)(COO)(H)	125.3997	1.534	3	125.3997	2.353	3	125.1542	4.836	6	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H){1|O<1>,3|C<3>}	C(CC[5]H)(COO)(H)	127.9610	0.000	1	127.9610	0.000	1	125.1542	4.836	6	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>}	C(CC[5]H)(CCH)(H)	124.9850	0.000	1	124.9850	0.000	1	125.1542	4.836	6	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CNN)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H){2|C<4>}	C(CC[5]H)(CNN)(H)	121.7800	0.000	1	121.7800	0.000	1	125.1542	4.836	6	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5a]-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H)	C(C[5a]C[5a]O[5a])(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H){1|C<3>}	C(C[5a]C[5a]O[5a])(CC[5]H)(H)	123.5280	0.000	1	123.5280	0.000	1	123.5280	0.000	1	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	128.5010	0.000	1	128.5010	0.000	1	126.9293	2.626	3	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.2640	0.000	1	125.2640	0.000	1	126.9293	2.626	3	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	127.0230	0.000	1	127.0230	0.000	1	126.9293	2.626	3	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	P[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){1|C<4>,1|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	122.1830	0.000	1	122.7450	0.632	2	122.7450	0.632	2	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:H-1:	P[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){7|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.3070	0.000	1	122.7450	0.632	2	122.7450	0.632	2	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6]O[5]H)(CCH)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	C(CC[5]O)(CC[6]H)(H)	C(C[5]C[5,6]O[5]H)(CCH)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(CC[5]O)(CC[6]H)(H)	120.5267	0.444	4	120.5267	0.197	4	120.5267	0.197	4	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CCH)(O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(CCH)(O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	C(CC[6a]O)(CC[5]O)(H)	122.7025	0.431	2	122.7025	0.185	2	122.7025	0.185	2	124.0165	5.761	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:2:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:O-2:	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){4|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	125.9310	0.000	1	125.9310	0.000	1	125.9310	0.000	1	125.9310	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:3:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:C-4:	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CH3)	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H){1|O<1>,1|S<4>}	C(C[6a]C[6a]2)(CC[5]H)(CH3)	128.1290	0.000	1	128.1290	0.000	1	128.1290	0.000	1	128.1290	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,5]O[5]H)(CCH)(H)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,5]O[5]H)(CCH)(H)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(CC[5]H)(CH3)(H)	122.4490	0.000	1	122.4490	0.000	1	122.4490	0.000	1	125.1492	3.785	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	C(CC[5]H)(CCHH)(H)	126.7550	0.844	2	126.7550	0.713	2	126.7550	0.713	2	125.1492	3.785	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:S-4:H-1:	C(C[5]C[5]O[5]H)(CHS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H)	C(CC[5]H)(SCOO)(H)	C(C[5]C[5]O[5]H)(CHS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H){2|H<1>,2|O<2>}	C(CC[5]H)(SCOO)(H)	124.8935	1.360	2	124.8935	1.849	2	124.8935	1.849	2	125.1492	3.785	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CH3)(CCO)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(CC[5]H)(CH3)(CCO)	124.7250	0.000	1	124.7250	0.000	1	124.7250	0.000	1	124.7250	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5,6,6]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5,6,6]O[5]H)(CCC)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]C[5,6,6]O[5]H)(CCC)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C(CC[5]H)(CH3)2	125.3507	1.060	3	125.3507	1.125	3	125.3507	1.125	3	126.2242	5.044	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|H<1>,3|C<4>}	C(CC[5]H)(CH3)2	127.8800	0.000	1	127.8800	0.000	1	126.5986	6.645	7	126.2242	5.044	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CCHH)(CH3)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	C(CC[5]H)(CCHH)(CH3)	121.4260	0.000	1	121.4260	0.000	1	126.5986	6.645	7	126.2242	5.044	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CCHO)(CH3)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	C(CC[5]H)(CCHO)(CH3)	128.5010	1.308	2	128.5010	1.711	2	126.5986	6.645	7	126.2242	5.044	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){1|H<1>,3|C<4>}	C(CC[5]H)(CH3)2	127.8990	0.000	1	127.8990	0.000	1	126.5986	6.645	7	126.2242	5.044	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	C(CC[5]H)(CHHO)(CH3)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){1|H<1>,3|C<4>}	C(CC[5]H)(CHHO)(CH3)	126.2120	0.000	1	126.2120	0.000	1	126.5986	6.645	7	126.2242	5.044	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>,1|O<2>}	C(CC[5]H)(CH3)2	125.7710	0.000	1	125.7710	0.000	1	126.5986	6.645	7	126.2242	5.044	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	4:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CC[6]H)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6]H)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	4:3:3:	C[5]-4:C-3:O-1:	C[5]-4:O[5]-2:C-3:H-1:	P-4:C-3:C-3:	C(C[5]C[5]O[5]H)(CCP)(O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H)	C(PC[6a]3)(CC[6a]O)(CC[5]O)	C(C[5]C[5]O[5]H)(CCP)(O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H){4|H<1>}	C(PC[6a]3)(CC[6a]O)(CC[5]O)	122.1470	0.000	1	122.1470	0.000	1	119.9390	3.722	3	119.9390	3.722	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	4:3:3:	C[5]-4:C-3:O-1:	C[5]-4:O[5]-2:C-3:H-1:	P-4:C-3:C-3:	C(C[5]C[5]O[5]H)(CCP)(O)	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H)	C(PC[6a]3)(CC[5]O)(COO)	C(C[5]C[5]O[5]H)(CCP)(O)	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H){2|C<4>}	C(PC[6a]3)(CC[5]O)(COO)	118.8350	0.363	2	118.8350	0.132	2	119.9390	3.722	3	119.9390	3.722	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	4:3:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-4:C-3:C-4:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C(CC[5]HH)(CC[5]H)(CH3)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(CC[5]HH)(CC[5]H)(CH3)	125.9035	0.230	2	125.9035	0.053	2	125.9035	0.053	2	126.3440	0.898	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	4:3:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[3]-4:C-3:C-4:	C(C[5]C[5]O[5]H)(CC[3]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C(C[3]C[3]O[3]H)(CC[5]H)(CH3)	C(C[5]C[5]O[5]H)(CC[3]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	C(C[3]C[3]O[3]H)(CC[5]H)(CH3)	126.0200	0.776	2	126.0200	0.603	2	126.0200	0.603	2	126.3440	0.898	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:1:	4:3:4:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:C-4:	C(C[5]C[5]O[5]H)(CC[5]C)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]H)(CH3)	C(C[5]C[5]O[5]H)(CC[5]C)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CC[5]H)(CH3)	127.8730	0.000	1	127.8730	0.000	1	127.8730	0.000	1	126.3440	0.898	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:2:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:O-2:	C[5a]-3:C-3:H-1:	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	123.4870	0.000	1	123.4870	0.000	1	123.4870	0.000	1	123.4870	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2	C(CC[5]H)(H)2	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2{3|C<4>,4|H<1>}	C(CC[5]H)(H)2	125.3465	0.960	2	125.3465	0.921	2	125.3465	0.921	2	125.3465	0.921	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.2895	0.262	2	125.2895	0.069	2	125.2895	0.069	2	125.2895	0.069	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH){3|C<4>,4|H<1>}	C(CC[5]H)(H)2	127.4590	0.000	1	127.4590	0.000	1	127.4590	0.000	1	126.6073	0.587	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH){1|C<3>,2|H<1>}	C(CC[5]H)(H)2	126.3900	0.000	1	126.3900	0.000	1	126.3900	0.000	1	126.6073	0.587	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]O[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH){1|C<3>,1|C<4>}	C(CC[5]H)(H)2	125.9730	0.000	1	125.9730	0.000	1	125.9730	0.000	1	126.6073	0.587	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:2:1:	C[5]-4:C-3:O-1:	C[5,5]-4:O[5]-2:C-4:C-3:	C-3:O-2:O-1:	C(C[5]C[5,5]O[5]C)(COO)(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO)	C(CC[5]O)(OC)(O)	C(C[5]C[5,5]O[5]C)(COO)(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO){1|C<4>,1|H<1>,3|C<3>}	C(CC[5]O)(OC)(O)	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5a]-3:C-3:H-1:	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	125.3590	0.000	1	125.3590	0.000	1	125.3590	0.000	1	126.1155	0.600	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH){1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.7900	0.000	1	125.7900	0.000	1	125.7900	0.000	1	126.1155	0.600	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[6]-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CC[6]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	125.3470	0.000	1	125.3470	0.000	1	125.3470	0.000	1	126.1155	0.600	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	127.2870	0.000	1	127.2870	0.000	1	126.7323	0.294	3	126.1155	0.600	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	126.2040	0.000	1	126.2040	0.000	1	126.7323	0.294	3	126.1155	0.600	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	126.7060	0.000	1	126.7060	0.000	1	126.7323	0.294	3	126.1155	0.600	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:2:4:3:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:C-4:H-1:	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH){1|O<1>,2|H<1>}	C(CC[5]H)(CCHH)(H)	125.4700	0.000	1	125.4700	0.000	1	125.4700	0.000	1	125.4700	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,3x6]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,3x6]C[5]H)(CHH)(H)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,3x6]C[5]H)(CHH)(H)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>,4|C<3>}	C(CC[5]H)(H)2	123.1350	0.000	1	123.1350	0.000	1	123.1350	0.000	1	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]N[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]N[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H){2|C<3>,4|H<1>}	C(CC[5]H)(H)2	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C(CC[5]H)(H)2	125.4720	0.000	1	125.4720	0.000	1	125.4720	0.000	1	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(H)2	127.4720	0.000	1	126.4855	1.946	2	126.0783	2.715	7	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>,2|S<4>}	C(CC[5]H)(H)2	125.4990	0.000	1	126.4855	1.946	2	126.0783	2.715	7	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H){3|C<3>,3|H<1>}	C(CC[5]H)(H)2	123.8930	0.000	1	123.8930	0.000	1	126.0783	2.715	7	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|O<1>,1|S<4>}	C(CC[5]H)(H)2	127.2100	1.049	2	126.4210	2.923	4	126.0783	2.715	7	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C(CC[5]H)(H)2	125.6320	2.275	2	126.4210	2.923	4	126.0783	2.715	7	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H){1|H<1>,3|C<3>}	C(CC[5]H)(H)2	124.0060	0.000	1	124.0060	0.000	1	124.2199	1.391	16	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C(CC[5]H)(H)2	122.2330	0.000	1	122.8667	0.377	3	124.2199	1.391	16	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	C(CC[5]H)(H)2	123.4590	0.000	1	122.8667	0.377	3	124.2199	1.391	16	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|H<1>,3|C<3>}	C(CC[5]H)(H)2	122.9080	0.000	1	122.8667	0.377	3	124.2199	1.391	16	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H){5|C<3>}	C(CC[5]H)(H)2	125.7895	0.743	2	125.7895	0.552	2	124.2199	1.391	16	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C(CC[5]H)(H)2	124.4157	0.724	6	124.4157	0.524	6	124.2199	1.391	16	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H){1|C<4>,2|O<1>}	C(CC[5]H)(H)2	126.2950	0.000	1	126.2950	0.000	1	124.2199	1.391	16	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){1|O<1>}	C(CC[5]H)(H)2	123.5147	0.473	3	123.5147	0.223	3	124.2199	1.391	16	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:O-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O){1|O<1>,2|H<1>}	C(CC[5]H)(H)2	125.0520	0.000	1	125.0520	0.000	1	125.0520	0.000	1	124.7178	2.246	27	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:2:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-2:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(CN)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	C(CC[5]H)(CN)(H)	125.5060	0.000	1	125.5060	0.000	1	125.5060	0.000	1	119.7900	65.345	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:2:1:	C[5]-4:C-3:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:N-2:H-1:	C(C[5]C[5]N[5]H)(CHN)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H)	C(CC[5]O)(NN)(H)	C(C[5]C[5]N[5]H)(CHN)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H){1|O<1>,2|H<1>,4|C<3>}	C(CC[5]O)(NN)(H)	114.0740	0.000	1	114.0740	0.000	1	114.0740	0.000	1	119.7900	65.345	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.1330	1.399	2	123.1330	1.956	2	123.4730	1.325	3	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	124.1530	0.000	1	124.1530	0.000	1	123.4730	1.325	3	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C(CC[5]H)(CCH)(H)	120.0490	0.000	1	120.0490	0.000	1	120.0490	0.000	1	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:Br-1:	C(C[5]C[5]2H)(CBrC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCH)(Br)	C(C[5]C[5]2H)(CBrC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	C(CC[5]H)(CCH)(Br)	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(CCH)(H){1|C<3>,1|C<4>}	C(CC[5]H)(CCH)(H)	119.9295	0.206	2	119.9295	0.042	2	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	C(CC[5]H)(CCH)(H)	122.2087	1.695	10	121.8773	2.962	12	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){2|C<3>}	C(CC[5]H)(CCH)(H)	120.2200	0.354	2	121.8773	2.962	12	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	C(CC[5]H)(CCH)(H)	121.1000	0.000	1	121.1000	0.000	1	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]S[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]S[5]C)(CCH)(H){1|C<3>,1|H<1>}	C(CC[5]H)(CCH)(H)	123.5350	0.000	1	123.5350	0.000	1	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H){1|H<1>,2|C<3>}	C(CC[5]H)(CCH)(H)	125.8910	0.000	1	125.8910	0.000	1	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[5]H)(CCH)(H)	127.6520	0.000	1	127.6520	0.000	1	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H){1|O<1>,3|C<3>}	C(CC[5]H)(CCH)(H)	120.3810	0.000	1	120.3810	0.000	1	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H){1|N<2>,3|C<3>}	C(CC[5]H)(CCH)(H)	121.4720	0.000	1	121.4720	0.000	1	122.1208	4.960	20	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	126.4110	0.000	1	126.4110	0.000	1	126.4110	0.000	1	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(CC[5]H)(COO)(H)	123.4290	0.465	2	123.4290	0.216	2	123.4633	3.864	4	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H){2|C<3>}	C(CC[5]H)(COO)(H)	125.8820	0.000	1	125.8820	0.000	1	123.4633	3.864	4	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C(CC[5]H)(COO)(H)	121.1130	0.000	1	121.1130	0.000	1	123.4633	3.864	4	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.7980	0.000	1	123.7980	0.000	1	124.3523	0.679	3	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H){1|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.2990	0.000	1	125.2990	0.000	1	124.3523	0.679	3	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.9600	0.000	1	123.9600	0.000	1	124.3523	0.679	3	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:H-1:	P[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]P[5]H)(CCH)(H)	C[5](P[5]C[5]CW)(C[5]C[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]P[5]H)(CCH)(H)	C[5](P[5]C[5]CW)(C[5]C[5]H)(CCH)(H){1|C<3>,2|H<1>}	C(CC[5]H)(CCH)(H)	127.9645	0.292	2	127.9645	0.085	2	127.9645	0.085	2	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CCO)(H)	C(CC[3]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CCO)(H){1|C<3>,1|C<4>,1|H<1>}	C(CC[3]H)(CC[5]O)(H)	117.8680	0.000	1	117.8680	0.000	1	117.8680	0.000	1	122.7892	6.671	36	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[5]C[5]2H)(CC[6a]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(C[5]C[5]2H)(CC[6a]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(CCH)	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	125.1273	9.924	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C(C[5]C[5]2H)(CC[6a]N)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	C(C[5]C[5]2H)(CC[6a]N)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(CC[5]H)(NCH)	126.7700	0.000	1	126.7700	0.000	1	127.4930	1.045	2	125.1273	9.924	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C(C[5]C[5]2H)(CC[6a]N)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	C(C[5]C[5]2H)(CC[6a]N)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H){3|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(NCH)	128.2160	0.000	1	128.2160	0.000	1	127.4930	1.045	2	125.1273	9.924	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-3:N-3:	C(C[5]C[5]N[5]H)(CCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(COO)(NCH)	C(C[5]C[5]N[5]H)(CCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	C(CC[5]H)(COO)(NCH)	124.5420	0.000	1	124.5420	0.000	1	124.5420	0.000	1	125.1273	9.924	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-3:C-4:	C(C[5]C[5]2H)(CCC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)(H)	C(CC[3]H)(CC[5]O)(CH3)	C(C[5]C[5]2H)(CCC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)(H){1|C<4>,1|O<2>,2|H<1>}	C(CC[3]H)(CC[5]O)(CH3)	120.1610	0.000	1	120.1610	0.000	1	120.1610	0.000	1	120.1610	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(CCHH)(H)	128.3600	0.000	1	128.3600	0.000	1	123.7817	9.393	11	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H){1|Si<4>,1|C<4>,1|H<1>}	C(CC[5]H)(CCHH)(H)	125.5210	0.000	1	125.5210	0.000	1	123.7817	9.393	11	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C(CC[5]H)(CCHH)(H)	124.2720	0.000	1	124.2720	0.000	1	123.7817	9.393	11	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,3|H<1>}	C(CC[5]H)(CCHH)(H)	121.4140	0.000	1	121.4140	0.000	1	123.7817	9.393	11	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCHN)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C(CC[5]H)(CCHN)(H)	130.3100	0.000	1	130.3100	0.000	1	123.7817	9.393	11	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>}	C(CC[5]H)(CCCH)(H)	121.5930	0.000	1	121.5930	0.000	1	123.7817	9.393	11	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>}	C(CC[5]H)(CCHH)(H)	122.0258	0.563	5	122.0258	0.317	5	123.7817	9.393	11	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(CC[5]H)(CCHH)(H)	124.3200	0.000	1	124.3200	0.000	1	127.3555	18.429	2	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(CC[5]H)(CCHH)(H)	130.3910	0.000	1	130.3910	0.000	1	127.3555	18.429	2	124.3315	11.164	13	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:4:	C[5]-4:C-3:Br-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]N[5]H)(CCC)(Br)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H)	C(CC[5]Br)(CH3)2	C(C[5]C[5]N[5]H)(CCC)(Br)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H){4|H<1>}	C(CC[5]Br)(CH3)2	127.8420	0.000	1	127.8420	0.000	1	127.8420	0.000	1	127.1672	2.333	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:4:	C[5]-4:C-3:Cl-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2H)(CCC)(Cl)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CClC)(H)	C(CC[5]Cl)(CH3)2	C(C[5]C[5]2H)(CCC)(Cl)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CClC)(H){1|C<4>,2|H<1>}	C(CC[5]Cl)(CH3)2	127.0080	0.837	2	127.0080	0.701	2	127.0080	0.701	2	127.1672	2.333	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5,5]N[5]H)(CCC)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]C[5,5]N[5]H)(CCC)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(CC[5]H)(CH3)2	124.7810	0.000	1	124.7810	0.000	1	124.7810	0.000	1	127.1672	2.333	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CCH)(H)	C(CC[5]H)(CCHH)(CH3)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CCH)(H){1|O<1>}	C(CC[5]H)(CCHH)(CH3)	129.5850	0.000	1	129.5850	0.000	1	128.7005	1.565	2	127.1672	2.333	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C(CC[5]H)(CH3)2	127.8160	0.000	1	127.8160	0.000	1	128.7005	1.565	2	127.1672	2.333	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]N[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]C[5]N[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[5]H)(CH3)2	125.5030	0.000	1	125.5030	0.000	1	126.6490	2.627	2	127.1672	2.333	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]N[5]H)(CCC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	C(CC[5]H)(CHHO)(CH3)	C(C[5]C[5]N[5]H)(CCC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){2|C<4>}	C(CC[5]H)(CHHO)(CH3)	127.7950	0.000	1	127.7950	0.000	1	126.6490	2.627	2	127.1672	2.333	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CC[3]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H)	C(C[3]C[3,6]2H)(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CC[3]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[3]C[3,6]2H)(CC[5]H)(H)	131.4570	0.000	1	131.4570	0.000	1	131.4570	0.000	1	125.6875	14.994	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C(C[5]C[5]2C)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CC[5]H)(H)	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	125.6875	14.994	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H)	C(CC[6a]HH)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	C(CC[6a]HH)(CC[5]H)(H)	123.1600	0.000	1	123.1600	0.000	1	123.1600	0.000	1	125.6875	14.994	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C(C[5]C[5]N[5]H)(CC[3]H)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H)	C(C[3]C[3]2H)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[3]H)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H){2|C<4>}	C(C[3]C[3]2H)(CC[5]H)(H)	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	125.6875	14.994	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C-3:C-3:	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	131.0680	0.177	3	131.0680	0.031	3	131.0680	0.031	3	131.0680	0.031	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6]-4:C-3:C-4:	C(C[5]C[5]N[5]H)(CC[6]C)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	C(C[5]C[5]N[5]H)(CC[6]C)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){2|C<4>}	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	128.6600	0.000	1	128.6600	0.000	1	128.6600	0.000	1	128.6600	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:2:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5]2O)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC)	C(CC[5]H)(H)2	C(C[5]C[5]2O)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC){1|O<1>,1|O<2>}	C(CC[5]H)(H)2	126.6480	0.000	1	126.6480	0.000	1	126.6480	0.000	1	125.3150	3.554	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:2:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC){1|O<1>}	C(CC[5]H)(H)2	123.9820	0.000	1	123.9820	0.000	1	123.9820	0.000	1	125.3150	3.554	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:2:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2O)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2O)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.2100	0.000	1	125.2100	0.000	1	125.2100	0.000	1	125.2100	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:2:	3:3:4:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-3:C-3:O-2:	C-3:C-3:C-4:	C(C[5]C[5]2O)(CCC)(O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH)	C(CC[3]H)(CC[5]O)(CH3)	C(C[5]C[5]2O)(CCC)(O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	C(CC[3]H)(CC[5]O)(CH3)	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO){1|C<3>,2|H<1>}	C(CC[5]H)(CCH)(H)	126.8010	0.000	1	126.8010	0.000	1	126.8010	0.000	1	125.7875	2.054	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2N)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2N)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN){4|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	124.7740	0.000	1	124.7740	0.000	1	124.7740	0.000	1	125.7875	2.054	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:3:	3:3:3:	C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH)	C(C[6a]C[6a]2)2(CC[5]H)	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>,5|C<3>}	C(C[6a]C[6a]2)2(CC[5]H)	131.7630	0.000	1	131.7630	0.000	1	131.7630	0.000	1	131.7630	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:3:3:	4:3:1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-3:C-3:C-3:	P-4:C-3:H-1:	C(C[5]C[5]2C)(CHP)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)(COO)	C(PC[6a]3)(CC[5]O)(H)	C(C[5]C[5]2C)(CHP)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)(COO){4|H<1>}	C(PC[6a]3)(CC[5]O)(H)	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(CC[5]H)(H)2	126.0490	0.338	2	127.1617	3.771	3	127.1617	3.771	3	126.9440	1.800	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){2|O<2>,3|C<3>,4|H<1>}	C(CC[5]H)(H)2	129.3870	0.000	1	127.1617	3.771	3	127.1617	3.771	3	126.9440	1.800	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH){4|H<1>}	C(CC[5]H)(H)2	126.2280	0.000	1	126.2280	0.000	1	125.9780	0.125	2	126.9440	1.800	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH){1|C<4>,1|H<1>}	C(CC[5]H)(H)2	125.7280	0.000	1	125.7280	0.000	1	125.9780	0.125	2	126.9440	1.800	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH){4|H<1>}	C(CC[5]H)(H)2	127.9740	0.000	1	127.9740	0.000	1	127.5835	0.305	2	126.9440	1.800	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(CCH){1|O<1>,2|H<1>}	C(CC[5]H)(H)2	127.1930	0.000	1	127.1930	0.000	1	127.5835	0.305	2	126.9440	1.800	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.3370	0.000	1	125.3370	0.000	1	125.3370	0.000	1	128.3710	18.410	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:3:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C(C[5]C[5]N[5]C)(CC[5a]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5]N[5]C)(CC[5a]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH){1|O<1>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	131.4050	0.000	1	131.4050	0.000	1	131.4050	0.000	1	128.3710	18.410	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:Br-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(Br)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H)	C(CC[5]Br)(H)2	C(C[5]C[5]2H)(CHH)(Br)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	C(CC[5]Br)(H)2	124.9470	0.000	1	124.9470	0.000	1	124.9470	0.000	1	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[3x5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[3x5]C[5]H)(CHH)(H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[3x5]C[5]H)(CHH)(H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C(CC[5]H)(H)2	124.5010	0.000	1	124.4080	0.017	2	124.4080	0.017	2	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[3x5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[3x5]C[5]H)(CHH)(H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[3x5]C[5]H)(CHH)(H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){2|C<2>,2|C<4>,3|C<3>,3|H<1>}	C(CC[5]H)(H)2	124.3150	0.000	1	124.4080	0.017	2	124.4080	0.017	2	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	C(CC[5]H)(H)2	125.8020	0.000	1	125.8020	0.000	1	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(CC[5]H)(H)2	124.1020	0.000	1	124.1020	0.000	1	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(CC[5]H)(H)2	125.9070	0.000	1	125.9070	0.000	1	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	C(CC[5]H)(H)2	128.7670	0.000	1	128.7670	0.000	1	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C(CC[5]H)(H)2	123.4357	0.424	4	123.4597	0.176	6	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,4|C<3>}	C(CC[5]H)(H)2	123.5075	0.578	2	123.4597	0.176	6	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C(CC[5]H)(H)2	122.6983	0.612	3	122.6983	0.375	3	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C(CC[5]H)(H)2	126.7953	0.809	4	126.8894	0.536	5	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|N<2>,2|H<1>,5|C<3>}	C(CC[5]H)(H)2	127.2660	0.000	1	126.8894	0.536	5	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C(CC[5]H)(H)2	125.1550	0.283	2	125.1550	0.080	2	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>,3|C<3>}	C(CC[5]H)(H)2	124.9830	0.638	2	124.9830	0.407	2	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H){2|C<3>,2|O<1>}	C(CC[5]H)(H)2	123.0270	0.000	1	123.0270	0.000	1	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<4>,2|H<1>}	C(CC[5]H)(H)2	125.8690	0.000	1	125.8690	0.000	1	124.8771	3.175	24	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6,6]C[5]H)(CHH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6,6]C[5]H)(CHH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C(CC[5]H)(H)2	125.1635	0.308	2	125.1635	0.095	2	125.1635	0.095	2	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C(CC[5]H)(H)2	125.5215	1.661	2	125.5215	2.759	2	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H){2|C<4>,5|H<1>}	C(CC[5]H)(H)2	124.8830	0.000	1	124.8830	0.000	1	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	C(CC[5]H)(H)2	123.3715	0.303	2	123.3715	0.092	2	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C(CC[5]H)(H)2	128.5435	2.027	2	128.5435	4.110	2	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(CC[5]H)(H)2	126.8960	0.089	2	126.8960	0.008	2	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|N<3>,2|C<4>,2|H<1>}	C(CC[5]H)(H)2	125.2120	0.426	2	125.2120	0.181	2	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H){2|C<4>,5|H<1>}	C(CC[5]H)(H)2	124.9550	0.000	1	124.9550	0.000	1	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H){3|H<1>,5|C<3>}	C(CC[5]H)(H)2	128.7145	1.153	2	128.7145	1.330	2	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H){3|C<3>,3|H<1>}	C(CC[5]H)(H)2	126.3770	0.000	1	126.3770	0.000	1	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(CC[5]H)(H)2	124.6480	0.000	1	124.6480	0.000	1	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C(CC[5]H)(H)2	124.5260	0.000	1	124.5260	0.000	1	125.9945	3.735	17	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:F-1:F-1:	C(C[5]C[5]2H)(CFF)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(F)2	C(C[5]C[5]2H)(CFF)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<2>}	C(CC[5]H)(F)2	124.2880	0.000	1	124.2880	0.000	1	124.2880	0.000	1	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(H)2	127.2610	0.000	1	127.2610	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(CC[5]H)(H)2	124.9850	0.000	1	124.9850	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,1|N<2>,2|C<3>}	C(CC[5]H)(H)2	124.1615	0.278	2	128.6103	29.828	4	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,3|C<3>}	C(CC[5]H)(H)2	133.0590	3.200	2	128.6103	29.828	4	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H){1|H<1>,3|C<3>}	C(CC[5]H)(H)2	126.0910	0.000	1	126.0910	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H){1|H<1>,3|C<3>}	C(CC[5]H)(H)2	125.1760	1.381	3	125.1760	1.907	3	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C(CC[5]H)(H)2	123.9945	0.894	2	123.9350	0.310	4	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>}	C(CC[5]H)(H)2	123.8755	0.340	2	123.9350	0.310	4	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<2>,1|H<1>,2|C<3>}	C(CC[5]H)(H)2	124.3700	0.369	2	124.8643	0.711	9	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C(CC[5]H)(H)2	124.4693	0.676	3	124.8643	0.711	9	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,3|C<3>}	C(CC[5]H)(H)2	125.2720	0.547	2	124.8643	0.711	9	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(H)2	126.5740	0.000	1	124.8643	0.711	9	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){4|H<1>}	C(CC[5]H)(H)2	124.5130	0.000	1	124.8643	0.711	9	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<1>}	C(CC[5]H)(H)2	128.1290	0.000	1	124.9937	2.680	6	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C(CC[5]H)(H)2	124.3666	0.633	5	124.9937	2.680	6	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>}	C(CC[5]H)(H)2	125.4505	1.432	2	125.4505	2.050	2	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C(CC[5]H)(H)2	124.1380	0.000	1	124.1380	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H){4|H<1>}	C(CC[5]H)(H)2	127.7980	0.000	1	127.7980	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C(CC[5]H)(H)2	124.3530	0.000	1	124.3530	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<2>,2|C<2>,2|C<3>}	C(CC[5]H)(H)2	125.0275	0.151	2	125.0275	0.023	2	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|O<2>,1|S<4>}	C(CC[5]H)(H)2	125.1870	0.000	1	125.1870	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	C(CC[5]H)(H)2	125.6170	0.874	2	125.6170	0.764	2	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)2(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)2(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]H)(H)2	129.5690	3.600	4	129.5690	12.963	4	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H){2|H<1>,4|C<3>}	C(CC[5]H)(H)2	125.9990	0.000	1	125.9990	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(H)2	124.6000	0.000	1	124.6000	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(H)2	124.1090	0.000	1	124.1090	0.000	1	125.7486	6.403	46	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H){1|C<3>,1|H<1>}	C(CC[5]H)(H)2	124.9800	0.000	1	124.9800	0.000	1	125.7790	0.586	3	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H){1|C<3>,1|H<1>}	C(CC[5]H)(H)2	125.8510	0.000	1	125.8510	0.000	1	125.7790	0.586	3	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:1:1:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	C(CC[5]H)(H)2	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	C(CC[5]H)(H)2	126.5060	0.000	1	126.5060	0.000	1	125.7790	0.586	3	125.5116	4.665	96	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:2:1:	C[5]-4:C-3:O-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,6]C[5]H)(COO)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	C(CC[5]O)(OC)(O)	C(C[5]C[5,6]C[5]H)(COO)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){2|C<4>,5|H<1>}	C(CC[5]O)(OC)(O)	118.7150	0.000	1	118.7150	0.000	1	118.7150	0.000	1	116.3558	6.089	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:2:1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]2H)(COO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	C(CC[5]O)(OC)(O)	C(C[5]C[5]2H)(COO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|C<2>,2|C<3>,2|H<1>}	C(CC[5]O)(OC)(O)	114.2990	0.000	1	114.2990	0.000	1	115.5693	5.423	3	116.3558	6.089	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:2:1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]2H)(COO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C(CC[5]O)(OC)(O)	C(C[5]C[5]2H)(COO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,6|C<3>}	C(CC[5]O)(OC)(O)	114.1520	0.000	1	114.1520	0.000	1	115.5693	5.423	3	116.3558	6.089	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:2:1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]2H)(COO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H)	C(CC[5]O)(OC)(O)	C(C[5]C[5]2H)(COO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H){6|C<3>}	C(CC[5]O)(OC)(O)	118.2570	0.000	1	118.2570	0.000	1	115.5693	5.423	3	116.3558	6.089	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:Cl-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(Cl)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H)	C(C[6a]C[6a]2)(CC[5]Cl)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(Cl)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H){2|C<3>,2|C<4>,2|O<1>}	C(C[6a]C[6a]2)(CC[5]Cl)(H)	123.5810	0.000	1	123.5810	0.000	1	123.5810	0.000	1	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(CC[5]H)(COO)(H)	127.3760	0.000	1	125.4600	7.342	2	125.3820	3.689	3	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(CC[5]H)(COO)(H)	123.5440	0.000	1	125.4600	7.342	2	125.3820	3.689	3	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C(CC[5]H)(COO)(H)	125.2260	0.000	1	125.2260	0.000	1	125.3820	3.689	3	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,4|H<1>}	C(CC[5]H)(CCH)(H)	126.8640	0.673	2	126.8640	0.453	2	126.0200	2.364	3	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(CC[5]H)(COO)(H)	124.3320	0.000	1	124.3320	0.000	1	126.0200	2.364	3	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	125.9110	0.000	2	125.9110	0.000	2	125.0370	1.097	4	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H){1|O<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	124.5060	0.000	1	124.5060	0.000	1	125.0370	1.097	4	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.8200	0.000	1	123.8200	0.000	1	125.0370	1.097	4	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>}	C(CC[5]H)(CCH)(H)	126.6503	1.230	3	126.6503	1.512	3	125.2662	3.820	9	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,2|C<3>}	C(CC[5]H)(CCH)(H)	126.7770	0.000	1	126.7770	0.000	1	125.2662	3.820	9	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	C(CC[5]H)(COO)(H)	125.0170	0.000	1	125.0170	0.000	1	125.2662	3.820	9	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	C(CC[5]H)(CCO)(H)	126.1850	0.000	1	126.1850	0.000	1	125.2662	3.820	9	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(COO)(H)	124.9120	0.000	1	124.9120	0.000	1	125.2662	3.820	9	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]H)(COO)(H)	122.8260	0.000	1	122.2770	0.603	2	125.2662	3.820	9	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(CC[5]H)(COO)(H)	121.7280	0.000	1	122.2770	0.603	2	125.2662	3.820	9	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H){4|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.9510	0.000	1	123.9510	0.000	1	127.2495	21.760	2	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)2(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)2(CCH)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(H)	130.5480	0.000	1	130.5480	0.000	1	127.2495	21.760	2	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H)	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C(CC[5]H)(COO)(H)	125.2890	0.000	1	125.2890	0.000	1	125.2890	0.000	1	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H)	C(CC[5]O)(CCC)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(CC[5]O)(CCC)(H)	117.1000	0.000	1	117.1000	0.000	1	118.2336	7.640	11	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H)	C(CC[5]O)(CSS)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(CC[5]O)(CSS)(H)	117.0210	0.000	1	117.0210	0.000	1	118.2336	7.640	11	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H)	C(CC[5a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C(CC[5a]H)(CC[5]O)(H)	119.3410	0.000	1	119.3410	0.000	1	118.2336	7.640	11	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C(CC[5]O)(CSS)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C(CC[5]O)(CSS)(H)	115.8165	0.054	2	116.9960	5.859	4	118.2336	7.640	11	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C(CC[5]O)(CSS)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C(CC[5]O)(CSS)(H)	118.1755	3.466	2	116.9960	5.859	4	118.2336	7.640	11	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C(CC[5]O)2(H)	124.6440	0.000	1	124.6440	0.000	1	118.2336	7.640	11	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C(CC[6a]H)(CC[5]O)(H)	120.4040	0.000	1	120.4040	0.000	1	118.2336	7.640	11	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C(CC[6a]H)(CC[5]O)(H)	117.0380	0.236	2	117.0380	0.056	2	118.2336	7.640	11	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CCH)(O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H)	C(CC[5]O)(CHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H){2|C<3>,3|H<1>}	C(CC[5]O)(CHH)(H)	118.5070	0.000	1	118.5070	0.000	1	118.5070	0.000	1	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,5|C<3>}	C(CC[6a]H)(CC[5]O)(H)	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:N-3:O-1:	C(C[5]C[5]2H)(CNO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	C(CC[5]O)(NCH)(O)	C(C[5]C[5]2H)(CNO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|H<1>,4|C<3>}	C(CC[5]O)(NCH)(O)	115.0220	0.000	1	115.0220	0.000	1	115.0220	0.000	1	122.7296	17.376	37	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(CC[5]H)(CHHO)(H)	126.7880	0.000	1	126.7880	0.000	1	126.7880	0.000	1	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-1:	C-3:C-4:H-1:	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O)	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O){2|C<3>,3|C<4>}	C(CC[5]H)(CHHO)(H)	131.7990	0.000	1	131.7990	0.000	1	131.7990	0.000	1	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6,6]C[5]H)(CCH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C(CC[5]H)(CHHO)(H)	121.1870	0.173	2	121.1870	0.030	2	121.1870	0.030	2	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(CC[5]H)(CH3)(H)	126.9170	0.000	1	126.9170	0.000	1	126.0955	1.350	2	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[5]H)(CH3)(H)	125.2740	0.000	1	125.2740	0.000	1	126.0955	1.350	2	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H)	C(CC[5]H)(CH3)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,2|H<1>}	C(CC[5]H)(CH3)(H)	126.4950	0.000	1	126.4950	0.000	1	123.9369	13.579	10	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,3|H<1>}	C(CC[5]H)(CCHH)(H)	122.0155	0.062	4	122.0155	0.004	4	123.9369	13.579	10	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H)	C(CC[5]H)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H){1|O<2>,3|H<1>}	C(CC[5]H)(CCHO)(H)	125.6500	0.000	1	125.6500	0.000	1	123.9369	13.579	10	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C(CC[5]H)(CCHH)(H)	128.4250	1.027	2	128.4250	1.054	2	123.9369	13.579	10	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C(CC[5]H)(CCHO)(H)	116.6200	0.000	1	116.6200	0.000	1	123.9369	13.579	10	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H)	C(CC[5]H)(CH3)(H)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H){1|S<4>,2|C<4>,3|H<1>}	C(CC[5]H)(CH3)(H)	125.6920	0.000	1	125.6920	0.000	1	123.9369	13.579	10	124.5326	14.153	16	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5,5,6]C[5]H)(CCC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H)	C(CC[5]H)(CCCH)(CH3)	C(C[5]C[5,5,6]C[5]H)(CCC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(CC[5]H)(CCCH)(CH3)	127.9670	0.000	1	127.9670	0.000	1	127.9670	0.000	1	126.3953	2.716	19	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C(CC[5]H)(CH3)2	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|O<1>,1|S<4>}	C(CC[5]H)(CH3)2	128.4590	0.000	1	128.4590	0.000	1	127.0102	1.626	13	126.3953	2.716	19	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H)	C(CC[5]H)(CCHO)(CH3)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H){1|C<4>,1|H<1>}	C(CC[5]H)(CCHO)(CH3)	127.5430	0.000	1	127.5430	0.000	1	127.0102	1.626	13	126.3953	2.716	19	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C(CC[5]H)(CCHH)(CH3)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C(CC[5]H)(CCHH)(CH3)	125.7340	0.000	1	125.7340	0.000	1	127.0102	1.626	13	126.3953	2.716	19	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:4:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C(CC[5]H)(CCHO)(CH3)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C(CC[5]H)(CCHO)(CH3)	126.9397	1.310	10	126.9397	1.716	10	127.0102	1.626	13	126.3953	2.716	19	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	3:4:4:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[5]Si[5]C[5]H)(CCC)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCHH)(CH3)	C(C[5]Si[5]C[5]H)(CCC)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[5]H)(CCHH)(CH3)	124.4820	0.960	5	124.4820	0.922	5	124.4820	0.922	5	126.3953	2.716	19	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[3,5]C[5]H)(CCH)(H)	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H)	C(CC[5]HO)(CC[5]H)(H)	C(C[5]C[3,5]C[5]H)(CCH)(H)	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,3|H<1>}	C(CC[5]HO)(CC[5]H)(H)	127.6160	0.000	1	127.6160	0.000	1	127.6160	0.000	1	125.5755	1.956	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CC[5]H)(H)	125.0100	0.486	2	124.8953	0.158	3	124.8953	0.158	3	125.5755	1.956	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[5]H)(H)	124.6660	0.000	1	124.8953	0.158	3	124.8953	0.158	3	125.5755	1.956	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:2:	3:3:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[5]H)(H)	123.1350	0.000	1	123.1350	0.000	1	123.1350	0.000	1	125.5255	11.429	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:2:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:C-3:H-1:	C(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH)	C(CC[5]H)2(H)	C(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH){4|H<1>}	C(CC[5]H)2(H)	127.9160	0.000	1	127.9160	0.000	1	127.9160	0.000	1	125.5255	11.429	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:2:	3:3:4:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:C-3:C-4:	C(C[5]C[5]2O)(CCC)(O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C(CC[3]H)(CC[5]O)(CH3)	C(C[5]C[5]2O)(CCC)(O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	C(CC[3]H)(CC[5]O)(CH3)	123.0002	1.977	6	123.0002	3.907	6	123.0002	3.907	6	123.0002	3.907	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:2:	3:4:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C-3:C-4:H-1:	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C(CC[5]H)(CH3)(H)	126.2920	0.000	1	126.1550	0.038	2	126.1550	0.038	2	126.1718	3.659	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:2:	3:4:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C-3:C-4:H-1:	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|C<4>,4|H<1>}	C(CC[5]H)(CH3)(H)	126.0180	0.000	1	126.1550	0.038	2	126.1550	0.038	2	126.1718	3.659	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:2:	3:4:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]O)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]O)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH){2|C<4>,5|H<1>}	C(CC[5]H)(CH3)(H)	128.5270	0.000	1	128.5270	0.000	1	128.5270	0.000	1	126.1718	3.659	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:2:	3:4:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:C-4:H-1:	C(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH)	C(CC[5]H)(CCHO)(H)	C(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH){4|H<1>}	C(CC[5]H)(CCHO)(H)	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	126.1718	3.659	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:C-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO){1|C<3>,3|H<1>}	C(CC[5]H)(H)2	128.1500	0.000	1	128.1500	0.000	1	128.1500	0.000	1	128.1500	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO){1|H<1>,1|S<4>,3|C<3>}	C(CC[5]H)(CCH)(H)	131.2950	0.000	1	131.2950	0.000	1	131.2950	0.000	1	131.2950	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:3:3:	4:3:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C-3:H-1:	C(C[5]C[5]2C)(CC[5]H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH)	C(C[5]C[5]2H)(CC[5]H)(H)	C(C[5]C[5]2C)(CC[5]H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CC[5]H)(H)	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH){1|C<3>,2|C<4>,3|H<1>}	C(CC[5]H)(H)2	128.6020	0.000	1	128.6020	0.000	1	127.2103	4.825	3	126.4613	2.155	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH){2|C<3>,2|O<1>}	C(CC[5]H)(H)2	124.6780	0.000	1	126.5145	6.745	2	127.2103	4.825	3	126.4613	2.155	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH){2|C<4>,2|O<1>}	C(CC[5]H)(H)2	128.3510	0.000	1	126.5145	6.745	2	127.2103	4.825	3	126.4613	2.155	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|S<4>}	C(CC[5]H)(H)2	125.7950	0.319	3	125.7950	0.102	3	125.8995	0.112	4	126.4613	2.155	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:4:3:	3:1:1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]N[5]HH)(CH3)(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]N[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|S<4>}	C(CC[5]H)(H)2	126.2130	0.000	1	126.2130	0.000	1	125.8995	0.112	4	126.4613	2.155	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:4:3:	3:3:1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6]C[5]C)(CCH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH)	C(CC[5]H)(CC[6]O)(H)	C(C[5]C[5,6]C[5]C)(CCH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH){1|C<3>,1|C<4>,4|H<1>}	C(CC[5]H)(CC[6]O)(H)	133.9760	0.000	1	133.9760	0.000	1	133.9760	0.000	1	133.9760	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:4:3:	3:3:4:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[6a]-3:C-3:C-4:	C(C[5]C[5]2C)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC[5]H)(CCHH)	C(C[5]C[5]2C)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH){2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(CCHH)	128.5860	0.000	1	128.5860	0.000	1	128.5860	0.000	1	128.5860	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:1:	4:4:4:3:	3:4:4:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C-3:C-4:C-4:	C(C[5]C[5,6]C[5]C)(CCC)(H)	C[5](C[5,6]C[3,6]C[5,6]O)(C[5]O[5]HH)(CH3)(CCH)	C(CC[5]H)(CH3)2	C(C[5]C[5,6]C[5]C)(CCC)(H)	C[5](C[5,6]C[3,6]C[5,6]O)(C[5]O[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(CC[5]H)(CH3)2	130.2360	0.000	1	130.2360	0.000	1	130.2360	0.000	1	130.2360	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	3:2:3:3:	3:2:1:	C[5]-4:C-3:N-2:	C[5,6a]-3:N[5]-2:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO)	C(CC[5]N)(OC)(O)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO){1|H<1>,2|C<3>,2|O<1>}	C(CC[5]N)(OC)(O)	118.4760	0.000	1	118.4760	0.000	1	118.4760	0.000	1	118.4760	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	3:3:3:2:	3:1:1:	C[5]-4:C-3:C-2:	C[5,6a]-3:C[5]-3:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(CHH)(CN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]O)(CHH)(CN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH){1|H<1>,3|C<3>}	C(CC[5]C)(H)2	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	3:3:3:2:	3:3:1:	C[5]-4:C-3:C-2:	C[5,6a]-3:C[5,6a]-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)(CC)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)(CC){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[5]C)(O)	117.5275	0.499	2	117.5275	0.249	2	117.5275	0.249	2	117.5275	0.249	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	3:3:3:3:	3:2:1:	C[5]-4:C-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC){4|C<3>,4|H<1>}	C(CC[5]C)(OC)(O)	116.1510	0.000	1	116.1510	0.000	1	116.1510	0.000	1	120.8075	43.366	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	3:3:3:3:	3:2:1:	C[5]-4:C-3:N-2:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN)	C(CC[5]N)(OC)(O)	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN){1|O<1>,2|H<1>,4|C<3>}	C(CC[5]N)(OC)(O)	125.4640	0.000	1	125.4640	0.000	1	125.4640	0.000	1	120.8075	43.366	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	3:4:3:1:	4:3:1:	C[5]-4:C-3:O-2:	C[5]-3:C[5]-4:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OSi)	C[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCO)(H)	C(CC[6a]C[6]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(OSi)	C[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCO)(H){2|C<4>,2|H<1>}	C(CC[6a]C[6]H)(CC[5]O)(H)	128.8890	0.000	1	128.8890	0.000	1	128.8890	0.000	1	128.8890	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	4:3:3:1:	4:3:1:	C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OSi)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)(H)	C(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(OSi)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)(H){2|H<1>}	C(CC[6a]CH)(CC[5]O)(H)	129.4320	0.420	2	129.4320	0.176	2	129.4320	0.176	2	129.4320	0.176	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	4:3:3:3:	3:2:1:	C[5]-4:C-3:N-2:	C[5]-4:N[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5]N[5]C)(COO)(NN)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO)	C(CC[5]N)(OC)(O)	C(C[5]C[5]N[5]C)(COO)(NN)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO){2|C<3>,4|H<1>}	C(CC[5]N)(OC)(O)	121.6700	0.000	1	121.6700	0.000	1	121.6700	0.000	1	121.6700	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(OH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(OH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C(CC[5]O)2(H)	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	125.5260	1.119	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	4:4:3:1:	3:3:1:	C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OC)	C[5](C[5]C[5]HH)2(CCO)(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2H)(CCH)(OC)	C[5](C[5]C[5]HH)2(CCO)(H){4|H<1>}	C(CC[5]O)(CCH)(H)	126.2740	0.000	1	126.2740	0.000	1	126.2740	0.000	1	125.5260	1.119	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	4:4:3:1:	3:4:1:	C[5]-4:C-3:C-2:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CCH)(CN)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C(CC[5]C)(CH3)(H)	C(C[5]C[5]2H)(CCH)(CN)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C(CC[5]C)(CH3)(H)	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	4:4:3:2:	3:1:1:	C[5]-4:C-3:C-2:	C[5,6]-4:C[5]-4:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]O)(CHH)(CN)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]O)(CHH)(CN)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH){2|C<4>,5|H<1>}	C(CC[5]C)(H)2	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:2:	4:4:3:2:	3:2:1:	C[5]-4:C-3:N-2:	C[5]-4:C[5]-4:C-3:O-2:	C-3:O-2:O-1:	C(C[5]C[5]2O)(COO)(NN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi)	C(CC[5]N)(OC)(O)	C(C[5]C[5]2O)(COO)(NN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi){1|O<2>,3|H<1>}	C(CC[5]N)(OC)(O)	129.8900	0.000	1	129.8900	0.000	1	129.8900	0.000	1	129.8900	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	2:3:4:3:	3:2:1:	C[5]-4:C-3:C-3:	S[5]-2:C[5]-3:C-4:C-3:	C-3:O-2:O-1:	C(C[5]C[5]S[5]C)(CCH)(COO)	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5]S[5]C)(CCH)(COO)	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC){1|C<3>,2|C<4>}	C(CC[5]C)(OC)(O)	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	2:3:4:3:	3:3:1:	C[5]-4:C-3:C-3:	S[5]-2:C[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(C[5]C[5]S[5]C)(CCH)(COO)	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC)	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]S[5]C)(CCH)(COO)	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC){1|C<3>,2|C<4>}	C(CC[6a]O)(CC[5]C)(H)	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:2:3:1:	3:3:1:	C[5]-4:C-3:C-3:	N[5]-3:O[5]-2:C-3:H-1:	C[6a]-3:C-3:O-1:	C(C[5]N[5]O[5]H)(CC[6a]O)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]N[5]O[5]H)(CC[6a]O)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[5]C)(O)	115.9480	0.000	1	117.2075	3.173	2	117.2075	3.173	2	117.2075	3.173	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:2:3:1:	3:3:1:	C[5]-4:C-3:C-3:	N[5]-3:O[5]-2:C-3:H-1:	C[6a]-3:C-3:O-1:	C(C[5]N[5]O[5]H)(CC[6a]O)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]N[5]O[5]H)(CC[6a]O)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]C)(O)	118.4670	0.000	1	117.2075	3.173	2	117.2075	3.173	2	117.2075	3.173	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:2:3:1:	3:3:2:	C[5]-4:C-3:C-3:	N[5]-3:O[5]-2:C-3:H-1:	C[6a]-3:C-3:O-2:	C(C[5]N[5]O[5]H)(CC[6a]O)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(OC)	C(C[5]N[5]O[5]H)(CC[6a]O)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[5]C)(OC)	116.1010	0.000	1	116.2040	0.021	2	116.2040	0.021	2	116.2040	0.021	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:2:3:1:	3:3:2:	C[5]-4:C-3:C-3:	N[5]-3:O[5]-2:C-3:H-1:	C[6a]-3:C-3:O-2:	C(C[5]N[5]O[5]H)(CC[6a]O)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(OC)	C(C[5]N[5]O[5]H)(CC[6a]O)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]C)(OC)	116.3070	0.000	1	116.2040	0.021	2	116.2040	0.021	2	116.2040	0.021	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:2:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<4>,3|H<1>,5|C<3>}	C(CC[5]C)(H)2	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	121.8748	1.965	4	121.8748	3.859	4	121.8748	3.859	4	121.8748	3.859	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:2:3:	4:3:3:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	P[6]-4:C[6]-3:C-3:	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC)	C(P[6]O[6]2O)(C[6]C[6]2)(CC[5]C)	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<4>,3|H<1>,5|C<3>}	C(P[6]O[6]2O)(C[6]C[6]2)(CC[5]C)	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<3>}	C(CC[5]C)(H)2	123.8240	0.000	1	123.8240	0.000	1	123.8240	0.000	1	121.6775	9.215	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	N[5,5]-3:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]N[5,5]C[5]H)(CHH)(COO)	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]N[5,5]C[5]H)(CHH)(COO)	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	C(CC[5]C)(H)2	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	121.6775	9.215	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	C(CC[5]C)(OC)(O)	112.2143	0.081	3	112.2143	0.007	3	112.2143	0.007	3	114.4052	15.909	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<3>}	C(CC[5]C)(OC)(O)	113.9750	0.000	1	113.9750	0.000	1	113.9750	0.000	1	114.4052	15.909	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	N[5,5]-3:C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]N[5,5]C[5]H)(CHH)(COO)	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]N[5,5]C[5]H)(CHH)(COO)	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	C(CC[5]C)(OC)(O)	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	114.4052	15.909	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5]C)(O)	116.9570	0.000	1	116.5760	0.290	2	116.5760	0.290	2	120.2960	14.411	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5]C)(O)	116.1950	0.000	1	116.5760	0.290	2	116.5760	0.290	2	120.2960	14.411	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	N-3:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C(NC[6a]H)(CC[5]C)(H)	123.9910	0.000	1	124.1410	0.045	2	124.1410	0.045	2	120.2960	14.411	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	N-3:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,2|C<3>}	C(NC[6a]H)(CC[5]C)(H)	124.2910	0.000	1	124.1410	0.045	2	124.1410	0.045	2	120.2960	14.411	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C-3:N-3:	C[5]-3:N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CCH)(NHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H)	C(CC[5]N)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(NHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H){3|H<1>}	C(CC[5]N)(COO)(H)	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.2960	14.411	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	3:4:4:	C[5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)(H)	C(CC[6a]C[5])(CH3)2	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)(H){1|H<1>,3|C<3>}	C(CC[6a]C[5])(CH3)2	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(CC[5]C)(H)	129.2083	0.275	3	129.2083	0.076	3	129.2083	0.076	3	129.2083	0.076	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:2:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(H)2	123.7610	0.000	1	123.7610	0.000	1	123.7610	0.000	1	121.6066	7.534	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:2:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C-3:H-1:O-1:	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH)	C(CC[5]C)(H)(O)	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(H)(O)	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	121.6066	7.534	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:2:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-3:C[5]-3:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5]2O)(CHH)(COO)	C[5](C[5]C[5,6a]O)2(CCC)(OH)	C(CC[5]C)(H)2	C(C[5]C[5]2O)(CHH)(COO)	C[5](C[5]C[5,6a]O)2(CCC)(OH){2|C<3>}	C(CC[5]C)(H)2	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	121.6066	7.534	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:2:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH)	C(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH){1|H<1>,3|C<3>}	C(CC[6a]C[5])(H)2	120.5820	0.000	1	120.5820	0.000	1	121.4105	1.373	2	121.6066	7.534	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:2:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC)	C(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC){1|C<4>,1|H<1>,2|C<3>}	C(CC[6a]C[5])(H)2	122.2390	0.000	1	122.2390	0.000	1	121.4105	1.373	2	121.6066	7.534	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:2:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-3:C[5]-3:C-3:O-2:	C-3:O-2:O-1:	C(C[5]C[5]2O)(CHH)(COO)	C[5](C[5]C[5,6a]O)2(CCC)(OH)	C(CC[5]C)(OC)(O)	C(C[5]C[5]2O)(CHH)(COO)	C[5](C[5]C[5,6a]O)2(CCC)(OH){2|C<3>}	C(CC[5]C)(OC)(O)	112.9870	0.000	1	112.9870	0.000	1	112.9870	0.000	1	112.9870	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C-3:N-3:	C[5]-3:C[5]-3:C-3:O-2:	C[5a]-3:C-3:H-1:	C(C[5]C[5]2O)(CC[5a]H)(NOO)	C[5](C[5]C[5,6a]O)2(CCN)(OH)	C(C[5a]C[5a]2)(CC[5]N)(H)	C(C[5]C[5]2O)(CC[5a]H)(NOO)	C[5](C[5]C[5,6a]O)2(CCN)(OH){2|C<3>}	C(C[5a]C[5a]2)(CC[5]N)(H)	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:N-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(H)2	122.5600	0.000	1	122.5600	0.000	1	123.1300	0.650	2	121.1390	5.616	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:N-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(H)2	123.7000	0.000	1	123.7000	0.000	1	123.1300	0.650	2	121.1390	5.616	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:O-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OMg2)	C(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OMg2){1|H<1>,3|C<3>}	C(CC[6a]C[5])(H)2	119.1480	0.585	2	119.1480	0.343	2	119.1480	0.343	2	121.1390	5.616	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:N-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(OC)(O)	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:3:3:	3:4:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-3:N-3:	C-3:C-4:O-1:	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C(CC[5]C)(CH3)(O)	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(CH3)(O)	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:4:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(H)2	123.6990	0.000	1	123.6990	0.000	1	123.6990	0.000	1	123.6990	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:4:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC){2|H<1>,4|C<3>}	C(CC[5]C)(OC)(O)	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	115.1440	0.552	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:4:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(OC)(O)	115.9570	0.000	1	115.9570	0.000	1	115.2290	1.060	2	115.1440	0.552	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:4:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(OC)(O)	114.5010	0.000	1	114.5010	0.000	1	115.2290	1.060	2	115.1440	0.552	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-3:	N-3:C-3:H-1:	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC)	C(NC[6a]C)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(NC[6a]C)(CC[5]C)(H)	127.5140	0.000	1	127.5140	0.000	1	127.5140	0.000	1	127.5140	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:3:4:3:	3:3:3:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	N[6]-3:C-3:C-3:	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC)	C(N[6]C[6]2)(CC[5]C)(COO)	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC){2|H<1>,4|C<3>}	C(N[6]C[6]2)(CC[5]C)(COO)	127.5250	0.000	1	127.5250	0.000	1	127.5250	0.000	1	127.5250	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:C-3:C-3:	N[5]-3:C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H){4|C<3>}	C(CC[5]C)(OC)(O)	116.6060	0.000	1	116.6060	0.000	1	116.6060	0.000	1	116.6060	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C-3:C-3:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H)	C(C[6a]C[6a]2)2(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H){4|C<3>}	C(C[6a]C[6a]2)2(CC[5]C)	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC){1|C<4>,2|H<1>,4|C<3>}	C(CC[5]C)(H)2	125.9700	0.000	1	125.9700	0.000	1	124.4652	3.067	4	124.5842	2.371	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C(CC[5]C)(H)2	122.9555	0.291	2	123.9637	3.091	3	124.4652	3.067	4	124.5842	2.371	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C(CC[5]C)(H)2	125.9800	0.000	1	123.9637	3.091	3	124.4652	3.067	4	124.5842	2.371	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC){1|S<2>,3|H<1>,5|C<3>}	C(CC[5]C)(H)2	125.0600	0.000	1	125.0600	0.000	1	125.0600	0.000	1	124.5842	2.371	5	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC){1|C<4>,2|H<1>,4|C<3>}	C(CC[5]C)(OC)(O)	114.0870	0.000	1	114.0870	0.000	1	116.0390	4.857	4	116.0985	6.476	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C(CC[5]C)(OC)(O)	117.8705	1.060	2	116.6897	4.745	3	116.0390	4.857	4	116.0985	6.476	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C(CC[5]C)(OC)(O)	114.3280	0.000	1	116.6897	4.745	3	116.0390	4.857	4	116.0985	6.476	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC){1|S<2>,3|H<1>,5|C<3>}	C(CC[5]C)(OC)(O)	113.2370	0.000	1	113.2370	0.000	1	113.2370	0.000	1	116.0985	6.476	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]C)(C[5]N[5]S[5])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[5]C)(COO)	C(CC[5]2)(OC)(O)	C(C[5]C[5,6a]C[5]C)(C[5]N[5]S[5])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[5]C)(COO){1|H<1>,1|O<1>,4|C<3>}	C(CC[5]2)(OC)(O)	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	116.0985	6.476	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:3:4:	3:1:1:	C[5]-4:C[6a]-3:C-3:	N[5]-3:C[5]-4:C-3:C-4:	C-3:H-1:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CHH)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(CC[6a]C)(CH3)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CHH)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(CC[6a]C)(CH3){1|O<1>,2|C<3>}	C(CC[6a]C[5])(H)2	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:4:3:	3:1:1:	C[5]-4:C-3:C-3:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]2)(CHH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC)	C(CC[5]C)(H)2	C(C[5]C[6a]C[5]2)(CHH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC){2|H<1>,4|C<3>}	C(CC[5]C)(H)2	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	3:4:4:3:	3:2:1:	C[5]-4:C-3:C-3:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C-3:O-2:O-1:	C(C[5]C[6a]C[5]2)(CHH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[6a]C[5]2)(CHH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC){2|H<1>,4|C<3>}	C(CC[5]C)(OC)(O)	116.7110	0.000	1	116.7110	0.000	1	116.7110	0.000	1	116.7110	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(CC[5]C)(H)2	123.8100	0.000	1	123.8100	0.000	1	122.8773	3.368	3	121.7707	2.417	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(CC[5]C)(H)2	120.7630	0.000	1	120.7630	0.000	1	122.8773	3.368	3	121.7707	2.417	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H){1|O<1>,3|C<3>}	C(CC[5]C)(H)2	124.0590	0.000	1	124.0590	0.000	1	122.8773	3.368	3	121.7707	2.417	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	C(CC[6a]C[5])(H)2	121.4475	0.438	2	121.4475	0.192	2	120.9408	0.446	4	121.7707	2.417	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H){1|C<3>}	C(CC[6a]C[5])(H)2	120.4340	0.344	2	120.4340	0.118	2	120.9408	0.446	4	121.7707	2.417	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(CC[5]C)(OC)(O)	113.6720	0.000	1	113.6720	0.000	1	114.9150	3.336	3	114.9150	3.336	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(CC[5]C)(OC)(O)	117.0120	0.000	1	117.0120	0.000	1	114.9150	3.336	3	114.9150	3.336	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]O[5]H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H){1|O<1>,3|C<3>}	C(CC[5]C)(OC)(O)	114.0610	0.000	1	114.0610	0.000	1	114.9150	3.336	3	114.9150	3.336	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:3:2:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C-3:C-2:	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(CC)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(CC[5]C)(CC)	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:4:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H){1|C<4>,1|O<1>}	C(CC[5]C)(CCHH)(H)	121.3310	0.000	1	121.3310	0.000	1	121.3310	0.000	1	120.3540	1.909	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:1:	3:4:1:	C[5]-4:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H)	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H){1|C<3>,1|O<1>}	C(CC[6a]C[5])(CH3)(H)	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	120.3540	1.909	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:2:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5]O[5]O)(CHH)(COO)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]O)(CHH)(COO)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC){1|B<6>,1|C<4>}	C(CC[5]C)(H)2	123.3790	0.000	1	123.3790	0.000	1	123.3790	0.000	1	123.3790	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:2:3:2:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:O[5]-2:C-3:O-2:	C-3:O-2:O-1:	C(C[5]C[5]O[5]O)(CHH)(COO)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC)	C(CC[5]C)(OC)(O)	C(C[5]C[5]O[5]O)(CHH)(COO)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC){1|B<6>,1|C<4>}	C(CC[5]C)(OC)(O)	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:2:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C-3:H-1:H-1:	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C(CC[5]C)(H)2	120.8485	2.867	2	120.8485	8.222	2	120.8485	8.222	2	120.8923	4.334	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:2:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C-3:O-1:O-1:	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C(CC[5]C)(O)2	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C(CC[5]C)(O)2	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	120.8923	4.334	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:2:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	C(CC[5]C)(H)2	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC){2|H<1>,4|C<3>}	C(CC[5]C)(H)2	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	120.8923	4.334	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:2:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C-3:O-2:O-1:	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C(CC[5]C)(OC)(O)	118.4380	0.000	1	118.4380	0.000	1	118.4380	0.000	1	120.2705	6.716	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:2:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C-3:O-2:O-1:	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	C(CC[5]C)(OC)(O)	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC){2|H<1>,4|C<3>}	C(CC[5]C)(OC)(O)	122.1030	0.000	1	122.1030	0.000	1	122.1030	0.000	1	120.2705	6.716	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]N[5]H)(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,5]N[5]H)(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(CC[5]C)(H)2	123.5430	0.580	2	123.5430	0.336	2	123.5430	0.336	2	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHH)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H){3|C<4>}	C(CC[5]C)(H)2	125.5570	0.000	1	125.5570	0.000	1	125.5570	0.000	1	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:O-1:	C(C[5]C[5]2H)(CCH)(CHO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C(CC[5]C)(H)(O)	C(C[5]C[5]2H)(CCH)(CHO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|H<1>}	C(CC[5]C)(H)(O)	118.2280	0.000	1	119.5430	3.458	2	119.5430	3.458	2	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:O-1:	C(C[5]C[5]2H)(CCH)(CHO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C(CC[5]C)(H)(O)	C(C[5]C[5]2H)(CCH)(CHO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C(CC[5]C)(H)(O)	120.8580	0.000	1	119.5430	3.458	2	119.5430	3.458	2	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H){2|C<3>}	C(CC[5]C)(H)2	123.7650	0.000	1	123.7650	0.000	1	124.5713	0.529	3	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H){1|H<1>,3|C<3>}	C(CC[5]C)(H)2	124.9745	0.289	2	124.9745	0.084	2	124.5713	0.529	3	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:C-3:H-1:	C-3:Cl-1:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CClH)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H)	C(CC[6a]C[5])(Cl)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CClH)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H){1|C<4>,3|C<3>}	C(CC[6a]C[5])(Cl)(H)	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H){3|C<3>}	C(CC[6a]C[5])(H)2	122.1820	0.000	1	122.1820	0.000	1	122.2675	0.015	2	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H){1|C<3>,1|H<1>}	C(CC[6a]C[5])(H)2	122.3530	0.000	1	122.3530	0.000	1	122.2675	0.015	2	122.3887	8.518	11	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,5]N[5]H)(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5,5]N[5]H)(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(CC[5]C)(OC)(O)	116.3405	3.225	2	116.3405	10.401	2	116.3405	10.401	2	116.2544	6.691	14	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]2H)(CHH)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H)	C(CC[5]C)(OH)(O)	C(C[5]C[5]2H)(CHH)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H){3|C<4>}	C(CC[5]C)(OH)(O)	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	116.2544	6.691	14	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CCO)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CCO)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C(CC[5]C)(OC)(O)	116.7103	2.609	4	116.7103	6.805	4	116.2673	7.647	11	116.2544	6.691	14	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CCS)(COO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CCS)(COO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H){1|C<4>,1|H<1>}	C(CC[5]C)(OC)(O)	113.5580	0.000	1	113.5580	0.000	1	116.2673	7.647	11	116.2544	6.691	14	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C(CC[5]C)(OC)(O)	119.6125	1.607	2	119.6125	2.583	2	116.2673	7.647	11	116.2544	6.691	14	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C(CC[5]C)(OC)(O)	117.8870	0.000	1	117.8870	0.000	1	116.2673	7.647	11	116.2544	6.691	14	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CHH)(COO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H){2|C<3>}	C(CC[5]C)(OC)(O)	114.2860	0.000	1	114.2860	0.000	1	116.2673	7.647	11	116.2544	6.691	14	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H){1|H<1>,3|C<3>}	C(CC[5]C)(OC)(O)	113.5715	1.371	2	113.5715	1.880	2	116.2673	7.647	11	116.2544	6.691	14	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2H)(CC[6a]H)(CCO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2H)(CC[6a]H)(CCO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H){5|C<3>}	C(C[6a]C[6a]2)(CC[5]C)(H)	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	123.7540	1.109	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C(C[6a]C[6a]2)(CC[5]C)(H)	123.6120	1.448	2	123.6120	2.097	2	123.6120	2.097	2	123.7540	1.109	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-3:S-2:	C(C[5]C[5]N[5]H)(CCS)(COO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H)	C(CC[5]C)(COO)(SC)	C(C[5]C[5]N[5]H)(CCS)(COO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H){1|C<4>,1|H<1>}	C(CC[5]C)(COO)(SC)	124.4530	0.000	1	124.4530	0.000	1	124.4530	0.000	1	122.4650	7.904	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(OSi)	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C(C[6a]C[6a]2)(CC[5]C)(OSi)	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	122.4650	7.904	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:4:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C(C[5]C[5]2H)(CC[6a]H)(CCO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H)	C(CC[5]C)(CH3)(O)	C(C[5]C[5]2H)(CC[6a]H)(CCO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H){5|C<3>}	C(CC[5]C)(CH3)(O)	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	118.7097	28.070	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:4:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(CCH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|C<4>,3|H<1>}	C(CC[5]C)(CCHH)(H)	125.1380	1.710	2	125.1380	2.923	2	125.1380	2.923	2	118.7097	28.070	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:4:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:O-1:	C(C[5]C[5]N[5]H)(CCH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(CCHH)(O)	C(C[5]C[5]N[5]H)(CCH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|C<4>,3|H<1>}	C(CC[5]C)(CCHH)(O)	114.7840	0.000	1	114.7840	0.000	1	114.1475	0.810	2	118.7097	28.070	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:4:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:O-1:	C(C[5]C[5]N[5]H)(CCH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(CH3)(O)	C(C[5]C[5]N[5]H)(CCH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|C<4>,3|H<1>}	C(CC[5]C)(CH3)(O)	113.5110	0.000	1	113.5110	0.000	1	114.1475	0.810	2	118.7097	28.070	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:4:1:	C[5]-4:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]C)(H)	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]C)(H){1|C<3>,2|C<4>}	C(CC[6a]C[5])(CH3)(H)	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	118.7097	28.070	6	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	3:4:2:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:O-2:	C(C[5]C[5]N[5]H)(CCO)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	C(CC[5]C)(CCHH)(OSi)	C(C[5]C[5]N[5]H)(CCO)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C(CC[5]C)(CCHH)(OSi)	120.7528	0.823	4	120.7528	0.678	4	120.7528	0.678	4	120.7528	0.678	4	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(CHO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CCH)(CHO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|H<1>}	C(CC[5]HH)(CC[5]C)(H)	126.6050	0.000	1	124.4600	9.202	2	124.4600	9.202	2	124.4600	9.202	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(CHO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CCH)(CHO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C(CC[5]HH)(CC[5]C)(H)	122.3150	0.000	1	124.4600	9.202	2	124.4600	9.202	2	124.4600	9.202	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:3:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C(CC[5]C)(H)2	124.7860	0.000	1	124.7860	0.000	1	124.7860	0.000	1	124.7860	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5]N[5]C)(CPdC)(COO)	C[5](C[5]C[5,6a]PdC)(N[5]C[5,6a]C)(CCC)(COO)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(CPdC)(COO)	C[5](C[5]C[5,6a]PdC)(N[5]C[5,6a]C)(CCC)(COO){2|C<3>}	C(CC[5]C)(OC)(O)	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5]2C)(CCC)(CCH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2C)(CCC)(CCH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C(CC[5]C)(CHH)(H)	116.5530	0.000	1	116.5530	0.000	1	116.5530	0.000	1	114.8830	5.578	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C(C[6a]C[6a]2)(CC[5]C)(O)	113.2130	0.000	1	113.2130	0.000	1	113.2130	0.000	1	114.8830	5.578	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:3:3:3:	3:4:4:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C-3:C-4:C-4:	C(C[5]C[5]2C)(CCC)(CCH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C(CC[5]C)(CH3)2	C(C[5]C[5]2C)(CCC)(CCH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C(CC[5]C)(CH3)2	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5,5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C(CC[5]C)(H)2	124.0460	0.000	1	124.0460	0.000	1	124.0460	0.000	1	122.9344	1.320	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H){2|H<1>,4|C<3>}	C(CC[5]C)(H)2	124.8970	0.000	1	124.8970	0.000	1	124.8970	0.000	1	122.9344	1.320	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H)	C(CC[6a]C[5])(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	122.3196	0.485	5	122.3196	0.235	5	122.3196	0.235	5	122.9344	1.320	7	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(CC[5]C)(OC)(O)	117.9030	0.000	1	117.9030	0.000	1	117.9030	0.000	1	116.3310	1.854	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5,5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,5]C[5]H)(CHH)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5,5]C[5]H)(CHH)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C(CC[5]C)(OC)(O)	115.5320	0.000	1	115.5320	0.000	1	115.5320	0.000	1	116.3310	1.854	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]2H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]2H)(CHH)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H){2|H<1>,4|C<3>}	C(CC[5]C)(OC)(O)	115.5580	0.000	1	115.5580	0.000	1	115.5580	0.000	1	116.3310	1.854	3	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H)	C(CC[6a]C[5])(CHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H){2|C<4>,5|H<1>}	C(CC[6a]C[5])(CHO)(H)	124.2360	0.041	2	124.2360	0.002	2	124.2360	0.002	2	124.2360	0.002	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:4:1:	C[5]-4:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H)	C(CC[6a]C[5])(CHHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H){2|C<4>,5|H<1>}	C(CC[6a]C[5])(CHHO)(H)	123.1545	1.012	2	123.1545	1.024	2	123.1545	1.024	2	123.1545	1.024	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:3:	4:4:3:1:	3:4:3:	C[5]-4:C-3:C-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(CCCH)(COO)	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(CC[5]C)(CCCH)(COO)	123.5120	0.000	1	123.5120	0.000	1	123.5120	0.000	1	123.5120	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:4:	3:3:3:3:	3:3:1:	C[5]-4:C-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]C[5]N[5])(CC[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[6a]C[5]N[5])(CC[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC){2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[5]C)(H)	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:	C[5]-4:C-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2H)(CC[6a]H)(CH3)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2H)(CC[6a]H)(CH3)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]C)(H)	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:4:	4:4:3:1:	3:3:1:	C[5]-4:C-3:C-4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	C(C[6a]C[6a]2)(CC[5]C)(H)	117.9320	0.000	1	117.9320	0.000	1	117.9320	0.000	1	117.9320	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:4:	4:4:3:1:	4:3:1:	C[5]-4:C-3:C-4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CC[5]H)(CH3)	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H)	C(C[5]C[5]O[5]H)(CC[5]C)(H)	C(C[5]C[5,6]C[5]H)(CC[5]H)(CH3)	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H){2|H<1>,5|C<4>}	C(C[5]C[5]O[5]H)(CC[5]C)(H)	124.2900	0.000	1	124.2900	0.000	1	124.2900	0.000	1	124.2900	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:3:4:	4:4:3:2:	3:3:1:	C[5]-4:C-3:C-4:	C[5,5]-4:C[5]-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[5]C[5,5]C[5]O)(CC[6a]H)(CCHH)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(CCHH)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi){1|C<4>,1|N<2>,3|H<1>}	C(C[6a]C[6a]2)(CC[5]C)(H)	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:2:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-3:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(CC[5]C)(H)2	122.0880	0.000	1	122.0880	0.000	1	122.0880	0.000	1	122.0880	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:2:3:2:	3:3:1:	C[5]-4:C-4:C-3:	C[5,6a]-3:O[5]-2:C-3:O-2:	C-3:C-3:H-1:	C(C[5]C[5,6a]O[5]O)(CC[6a]CH)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]O[5]O)(CC[6a]CH)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH){1|C<4>,2|C<3>,2|H<1>}	C(CC[5]C)(CCH)(H)	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CH3)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]H)(CH3)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H){1|H<1>,3|C<3>}	C(CC[5]C)(H)2	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:3:3:3:	3:3:1:	C[5]-4:C-4:C-3:	C[5]-3:C[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5]2C)(CH3)(CCH)	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO)	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2C)(CH3)(CCH)	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO){1|C<3>,1|N<3>}	C(CC[5]C)(CCC)(H)	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:3:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(CH3)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(H)2	122.7325	0.132	2	122.7325	0.017	2	122.7325	0.017	2	122.7325	0.017	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H){2|C<4>,4|H<1>}	C(CC[5]C)(H)2	120.8975	0.630	2	120.8975	0.397	2	120.8975	0.397	2	120.6614	1.319	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	N[5,5a]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]N[5,5a]C[5]H)(CH3)(CHH)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]N[5,5a]C[5]H)(CH3)(CHH)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H){1|C<4>,3|C<3>}	C(CC[5]C)(H)2	120.3010	0.008	4	120.3010	0.000	4	120.3010	0.000	4	120.6614	1.319	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]N[5,6]C[5]H)(CH3)(CHH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]N[5,6]C[5]H)(CH3)(CHH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(H)2	121.1460	2.782	2	121.1460	7.738	2	121.1460	7.738	2	120.6614	1.319	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:4:3:2:	3:3:1:	C[5]-4:C-4:C-3:	C[5,6a]-3:C[5]-4:C-3:O-2:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH){1|H<1>,1|O<1>,2|C<3>}	C(CC[5]C)(CCH)(H)	121.1100	0.000	1	121.1100	0.000	1	121.1100	0.000	1	121.1100	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	3:4:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6a]-3:C[5]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(CH3)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC){1|H<1>,1|N<3>,3|C<3>}	C(CC[5]C)(H)2	123.1330	0.000	1	123.1330	0.000	1	123.1330	0.000	1	123.1330	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:2:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]O[5]H)(CC[6]HH)(CHH)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,5]O[5]H)(CC[6]HH)(CHH)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H){1|O<2>,2|H<1>,5|C<4>}	C(CC[5]C)(H)2	119.4865	0.334	2	119.4865	0.112	2	119.4865	0.112	2	120.6372	3.035	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:2:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H){1|Cr<9>,2|C<4>}	C(CC[5]C)(H)2	122.5620	0.000	1	122.5620	0.000	1	120.8673	3.344	10	120.6372	3.035	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:2:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C(CC[5]C)(H)2	118.8110	0.000	1	118.8110	0.000	1	120.8673	3.344	10	120.6372	3.035	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:2:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H){2|C<3>}	C(CC[5]C)(H)2	119.6140	0.000	1	119.6140	0.000	1	120.8673	3.344	10	120.6372	3.035	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:2:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CH3)(CHH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(CC[5]C)(H)2	121.0980	1.873	7	121.0980	3.508	7	120.8673	3.344	10	120.6372	3.035	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:2:3:1:	3:4:1:	C[5]-4:C-4:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)(CCH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H){1|C<4>,3|H<1>}	C(CC[5]C)(CCHH)(H)	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:2:3:1:	3:4:4:	C[5]-4:C-4:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]O[5]H)(CF3)(CCC)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	C(CC[5]C)(CH3)2	C(C[5]C[5]O[5]H)(CF3)(CCC)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){1|H<1>,3|C<3>}	C(CC[5]C)(CH3)2	126.9760	0.000	1	126.9760	0.000	1	126.9760	0.000	1	126.9760	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:2:3:1:	4:3:1:	C[5]-4:C-4:C-3:	C[5]-4:O[5]-2:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CH3)(CCH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	C(CC[5]HH)(CC[5]C)(H)	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H){2|C<4>,2|H<1>}	C(CC[5]C)(H)2	123.6010	0.000	1	123.6010	0.000	1	119.3725	14.300	8	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	C(CC[5]C)(H)2	121.2270	1.478	2	121.2270	2.184	2	119.3725	14.300	8	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H){1|S<4>,2|H<1>}	C(CC[5]C)(H)2	115.2193	2.156	3	115.2193	4.648	3	119.3725	14.300	8	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCC)(H){1|C<3>,1|S<4>}	C(CC[5]C)(H)2	122.6050	0.000	1	122.6050	0.000	1	119.3725	14.300	8	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H){1|C<3>}	C(CC[5]C)(H)2	120.6620	0.000	1	120.6620	0.000	1	119.3725	14.300	8	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CHH)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHH)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCC)(H){1|O<1>}	C(CC[5]C)(H)2	118.8900	0.000	1	118.8900	0.000	1	120.0768	6.489	4	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)(CHH)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CH3)(CHH)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CCC)(H){4|H<1>}	C(CC[5]C)(H)2	118.5030	0.000	1	118.5030	0.000	1	120.0768	6.489	4	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)(CHH)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CH3)(CHH)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CCC)(H){1|C<3>,2|C<4>}	C(CC[5]C)(H)2	119.0310	0.000	1	119.0310	0.000	1	120.0768	6.489	4	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)(CHH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CH3)(CHH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|O<1>,2|H<1>}	C(CC[5]C)(H)2	123.8830	0.000	1	123.8830	0.000	1	120.0768	6.489	4	119.6073	10.990	12	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	3:4:4:	C[5]-4:C-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]N[5]H)(CCHH)(CCC)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	C(CC[5]C)(CH3)2	C(C[5]C[5]N[5]H)(CCHH)(CCC)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){4|H<1>}	C(CC[5]C)(CH3)2	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:1:	4:3:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CHHO)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CHHO)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|H<1>}	C(CC[5]HH)(CC[5]C)(H)	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CCHH)(CHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CCHH)(CHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C(CC[5]C)(H)2	121.2880	0.000	1	121.2880	0.000	1	122.4700	2.794	2	122.4700	2.794	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:3:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCC)(COO)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCC)(COO){1|H<1>,3|C<4>}	C(CC[5]C)(H)2	123.6520	0.000	1	123.6520	0.000	1	122.4700	2.794	2	122.4700	2.794	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC){1|H<1>,3|C<4>}	C(CC[5]C)(H)2	122.8375	0.293	2	122.8375	0.086	2	123.4399	0.598	9	123.2476	0.902	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	C(CC[5]C)(H)2	122.8635	0.566	2	122.8635	0.321	2	123.4399	0.598	9	123.2476	0.902	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|C<4>,3|H<1>}	C(CC[5]C)(H)2	124.6005	0.054	2	123.9114	0.469	5	123.4399	0.598	9	123.2476	0.902	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|H<1>,3|C<4>}	C(CC[5]C)(H)2	123.8910	0.000	1	123.9114	0.469	5	123.4399	0.598	9	123.2476	0.902	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	C(CC[5]C)(H)2	123.2325	0.052	2	123.9114	0.469	5	123.4399	0.598	9	123.2476	0.902	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:3:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:N[5]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]C)(CH3)(CHH)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]C)(CH3)(CHH)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)(CCC){1|C<3>}	C(CC[5]C)(H)2	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	123.2476	0.902	10	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CH3)(CHH)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CH3)(CHH)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(CCC)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C(CC[5]C)(H)2	117.0600	0.000	1	117.0600	0.000	1	119.3520	10.507	2	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHHO)(CHH)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(CHH)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCC)(H){1|O<1>,3|C<3>,3|H<1>}	C(CC[5]C)(H)2	121.6440	0.000	1	121.6440	0.000	1	119.3520	10.507	2	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CBrHH)(CHH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CBrHH)(CHH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){3|H<1>,4|C<4>}	C(CC[5]C)(H)2	123.8220	0.000	1	123.8220	0.000	1	122.6349	4.962	18	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CHH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	C(CC[5]C)(H)2	121.5070	0.000	1	121.5070	0.000	1	122.6349	4.962	18	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){3|C<4>,4|H<1>}	C(CC[5]C)(H)2	125.7590	0.000	1	125.7590	0.000	1	122.6349	4.962	18	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	C(CC[5]C)(H)2	121.5927	2.760	3	121.9169	5.051	12	122.6349	4.962	18	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){3|H<1>,4|C<4>}	C(CC[5]C)(H)2	122.0250	2.233	9	121.9169	5.051	12	122.6349	4.962	18	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(CC[5]C)(H)2	124.2290	0.194	2	124.4460	0.160	3	122.6349	4.962	18	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|H<1>,3|C<4>}	C(CC[5]C)(H)2	124.8800	0.000	1	124.4460	0.160	3	122.6349	4.962	18	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H){1|H<1>,2|C<4>,4|O<2>}	C(CC[5]C)(H)2	120.2610	0.000	1	120.2610	0.000	1	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(CC[5]C)(H)2	123.1942	1.215	4	123.1942	1.477	4	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	C(CC[5]C)(H)2	120.2580	0.000	1	119.9957	0.422	3	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H){2|C<4>,5|H<1>}	C(CC[5]C)(H)2	119.8645	0.861	2	119.9957	0.422	3	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(CC[5]C)(H)2	122.9915	0.582	2	122.8551	1.547	8	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(CC[5]C)(H)2	123.5075	0.591	4	122.8551	1.547	8	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>,3|O<2>}	C(CC[5]C)(H)2	120.0820	0.000	1	122.8551	1.547	8	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	C(CC[5]C)(H)2	122.7460	0.000	1	122.8551	1.547	8	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){4|H<1>}	C(CC[5]C)(H)2	121.4030	0.211	2	121.4030	0.044	2	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C(CC[5]C)(H)2	125.2170	0.000	1	125.2170	0.000	1	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHO)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHO)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	C(CC[5]C)(H)2	125.1760	0.000	1	125.1760	0.000	1	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	C(CC[5]C)(H)2	120.3432	0.878	4	120.3432	0.771	4	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[5]C)(H)2	121.0480	0.000	1	121.0480	0.000	1	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[5]C)(H)2	120.1580	0.000	1	120.1580	0.000	1	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(CC[5]C)(H)2	124.0725	0.906	2	123.8778	0.493	5	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[5]C)(H)2	124.1610	0.000	2	123.8778	0.493	5	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	C(CC[5]C)(H)2	122.9220	0.000	1	123.8778	0.493	5	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C(CC[5]C)(H)2	122.3000	0.000	1	122.3000	0.000	1	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H){1|C<3>,3|H<1>}	C(CC[5]C)(H)2	120.2295	0.622	2	120.2295	0.386	2	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C(CC[5]C)(H)2	120.4210	0.000	1	121.4950	2.307	2	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>}	C(CC[5]C)(H)2	122.5690	0.000	1	121.4950	2.307	2	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<2>,1|C<3>,1|H<1>}	C(CC[5]C)(H)2	123.2380	0.000	1	122.4487	1.796	4	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<3>,3|H<1>}	C(CC[5]C)(H)2	120.4520	0.000	1	122.4487	1.796	4	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C(CC[5]C)(H)2	123.0525	0.223	2	122.4487	1.796	4	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	C(CC[5]C)(H)2	121.0080	2.455	2	121.0080	6.027	2	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]HH)2(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	C[5](C[5]C[5]HH)2(CCC)(H){1|H<1>,1|O<2>,2|C<4>}	C(CC[5]C)(H)2	121.0580	0.000	1	121.0580	0.000	1	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHHO)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHHO)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>}	C(CC[5]C)(H)2	123.7210	0.000	1	123.7210	0.000	1	122.1221	2.978	44	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C-4:C-3:	P[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]P[5]H)(CH3)(CHH)	C[5](P[5]C[6a]2O[5])(C[5]B[5]HH)(CCC)(H)	C(CC[5]C)(H)2	C(C[5]C[5]P[5]H)(CH3)(CHH)	C[5](P[5]C[6a]2O[5])(C[5]B[5]HH)(CCC)(H){6|C<3>}	C(CC[5]C)(H)2	118.5900	0.000	1	118.5900	0.000	1	118.5900	0.000	1	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C[6]-4:C-3:	C[3,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H)	C(CC[5]C[6])(H)2	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H){1|H<1>,2|C<4>}	C(CC[5]C[6])(H)2	119.5950	0.720	2	119.5950	0.518	2	119.5950	0.518	2	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6,6]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[5,6,6]2H)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H)	C(CC[6,6]C[5])(H)2	C(C[6,6]C[5,6,6]2H)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C(CC[6,6]C[5])(H)2	120.3240	0.000	1	120.3240	0.000	1	120.3240	0.000	1	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	C(CC[5]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C(CC[5]C[6])(H)2	120.6363	1.917	6	120.6363	3.676	6	120.9971	3.974	7	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	C(CC[5]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C(CC[5]C[6])(H)2	123.1620	0.000	1	123.1620	0.000	1	120.9971	3.974	7	121.9279	4.079	75	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){2|C<4>,5|H<1>}	C(CC[5]C)(CCHH)(H)	123.1680	0.153	2	123.1680	0.023	2	123.3578	0.183	5	122.8307	1.362	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,5|H<1>}	C(CC[5]C)(CCHO)(H)	124.0430	0.000	1	124.0430	0.000	1	123.3578	0.183	5	122.8307	1.362	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){2|C<4>,5|H<1>}	C(CC[5]C)(CHHO)(H)	123.4500	0.000	1	123.4500	0.000	1	123.3578	0.183	5	122.8307	1.362	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	C(CC[5]C)(CCHH)(H)	122.9600	0.000	1	122.9600	0.000	1	123.3578	0.183	5	122.8307	1.362	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,3|H<1>}	C(CC[5]C)(CCHH)(H)	123.6440	0.000	1	122.6930	1.809	2	121.9523	2.550	3	122.8307	1.362	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){2|C<3>,2|H<1>}	C(CC[5]C)(CCHH)(H)	121.7420	0.000	1	122.6930	1.809	2	121.9523	2.550	3	122.8307	1.362	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2H)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C(CC[5]C)(CCHH)(H)	120.4710	0.000	1	120.4710	0.000	1	121.9523	2.550	3	122.8307	1.362	8	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:1:	4:3:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C(CC[5]HH)(CC[5]C)(H)	121.0200	0.717	2	121.0200	0.514	2	121.0200	0.514	2	121.0200	0.514	2	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:3:2:	3:4:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-3:O-2:	C-3:C-4:H-1:	C(C[5]C[5]2O)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2O)(CH3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH){1|C<4>,3|H<1>}	C(CC[5]C)(CCHH)(H)	121.8160	0.000	1	121.8160	0.000	1	121.8160	0.000	1	121.8160	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	930	0:SP2_SP2_SP3	C	C[5]	C	4:4:3:	4:4:4:3:	3:1:1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(CCC)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(CCC){1|S<4>,2|H<1>}	C(CC[5]C)(H)2	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	123.4150	13.637	834	123.5414	13.903	922
930	474	941	0:SP2_SP2_SP3	C	C[5,5,6]	N	4:2:1:	4:2:3:3:	3:3:	C[5,5,6]-4:N-2:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C-3:N-3:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN)	N(CC[5,5,6]H)(NHS)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N(CC[5,5,6]H)(NHS)	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5,5]	N	4:2:1:	3:4:3:1:	3:3:	C[5,5]-4:N-2:H-1:	N[5,5]-3:C[3,5,5]-4:C-3:H-1:	C[6a]-3:C-3:	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H)	N(C[6a]C[6a]2)(CC[5,5]H)	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H){2|C<3>}	N(C[6a]C[6a]2)(CC[5,5]H)	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5,6]	N	4:2:1:	4:3:3:1:	3:4:	C[5,6]-4:N-2:O-1:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	C-3:C-4:	C(C[5,6]C[5,5,6]N[5,5,6]H)(NC)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	N(CC[5,6]O)(CC3)	C(C[5,6]C[5,5,6]N[5,5,6]H)(NC)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,5|H<1>}	N(CC[5,6]O)(CC3)	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	120.2694	19.694	9	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5,6]	N	4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:N-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[6]-4:C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	N(C[6]C[6,6a]2H)(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|C<3>,4|H<1>}	N(C[6]C[6,6a]2H)(CC[5,6]O)	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	120.2694	19.694	9	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5,6]	N	4:2:1:	4:4:3:3:	3:3:	C[5,6]-4:N-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C-3:N-3:	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN)	N(CC[5,6]H)(NC[6a]H)	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN){1|C<3>,1|O<1>,4|H<1>}	N(CC[5,6]H)(NC[6a]H)	118.7610	0.000	1	118.7610	0.000	1	118.7610	0.000	1	118.7610	0.000	1	120.2694	19.694	9	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5,6]	N	4:2:1:	4:4:4:3:	3:2:	C[5,6]-4:N-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C-3:N-2:	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	N(CC[5,6]H)(NS)	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	N(CC[5,6]H)(NS)	123.1940	0.827	2	123.1940	0.684	2	123.1940	0.684	2	123.1940	0.684	2	120.2694	19.694	9	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5,6]	N	4:2:1:	4:4:4:3:	3:3:	C[5,6]-4:N-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C-3:N-3:	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	N(CC[5,6]H)(NHS)	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	N(CC[5,6]H)(NHS)	124.5975	1.364	2	124.5975	1.861	2	124.1833	1.445	3	124.1833	1.445	3	120.2694	19.694	9	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5,6]	N	4:2:1:	4:4:4:3:	3:3:	C[5,6]-4:N-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C-3:N-3:	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	N(CC[5,6]H)(NCH)	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	N(CC[5,6]H)(NCH)	123.3550	0.000	1	123.3550	0.000	1	124.1833	1.445	3	124.1833	1.445	3	120.2694	19.694	9	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5,6]	N	4:3:2:	4:4:3:1:	3:3:	C[5,6]-4:C-3:N-2:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C-3:N-3:	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H)	N(CC[5,6]C)(NC[6a]H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H){1|C<3>,4|H<1>}	N(CC[5,6]C)(NC[6a]H)	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	120.2694	19.694	9	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	3:4:2:	4:4:3:1:	3:1:	C[6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-4:C-3:H-1:	C-3:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]N)(H)	N(CC[6a]C[5])(O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]N)(H){1|C<3>,1|C<4>,2|H<1>}	N(CC[6a]C[5])(O)	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	3:4:2:	4:4:3:2:	3:4:	C[6a]-3:C[5]-4:N-2:	C[5]-4:C[5]-4:C-3:O-2:	C-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(NC)	C[5](C[5]C[5]HH)2(CC[6a]N)(OH)	N(CC[6a]C[5])(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2O)(NC)	C[5](C[5]C[5]HH)2(CC[6a]N)(OH){4|H<1>}	N(CC[6a]C[5])(CH3)	116.0020	0.000	1	116.0020	0.000	1	116.0020	0.000	1	116.0020	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	3:3:3:2:	3:2:	C[5]-4:N-2:F-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C-3:O-2:	C(C[5]C[5,6a]C[5]O)(NO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC)	N(CC[5]F)(OH)	C(C[5]C[5,6a]C[5]O)(NO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC){1|C<4>,1|H<1>,2|C<3>}	N(CC[5]F)(OH)	120.7360	0.000	1	120.7360	0.000	1	120.7360	0.000	1	120.7360	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	3:4:3:1:	3:3:	C[5]-4:N-2:O-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:C-3:	C(C[5]C[5]N[5]H)(NC)(O)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	N(CC[5]O)(CNN)	C(C[5]C[5]N[5]H)(NC)(O)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	N(CC[5]O)(CNN)	115.4410	0.177	2	115.4410	0.031	2	115.4410	0.031	2	115.4410	0.031	2	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	3:4:3:2:	3:3:	C[5]-4:N-2:Cl-1:	C[5]-3:C[5]-4:C-3:C-2:	C-3:C-3:	C(C[5]C[5]2C)(NC)(Cl)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN)	N(CC[5]Cl)(CC[6a]O)	C(C[5]C[5]2C)(NC)(Cl)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN){1|H<1>,3|C<3>}	N(CC[5]Cl)(CC[6a]O)	122.9900	0.233	2	122.9900	0.054	2	122.9900	0.054	2	122.9900	0.054	2	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:2:3:2:	3:4:	C[5]-4:N-2:O-1:	C[5]-4:O[5]-2:C-3:N-2:	C-3:C-4:	C(C[5]C[5]O[5]N)(NC)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	N(CC[5]O)(CCHH)	C(C[5]C[5]O[5]N)(NC)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<1>,2|H<1>}	N(CC[5]O)(CCHH)	116.2830	0.240	2	116.2830	0.058	2	116.2830	0.058	2	116.2830	0.058	2	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:2:4:3:	3:1:	C[5]-4:N-2:O-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:H-1:	C(C[5]C[5]O[5]C)(NH)(O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO)	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO){2|C<4>}	N(CC[5]O)(H)	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	3:1:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:H-1:	C(C[5]C[5]N[5]H)(NH)(O)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CNO)(H)	N(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NH)(O)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CNO)(H){4|H<1>}	N(CC[5]O)(H)	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	3:3:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-3:	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N(CC[5]O)(CNN)	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N(CC[5]O)(CNN)	111.8955	0.655	2	111.8955	0.430	2	111.8955	0.430	2	113.2313	2.610	4	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	3:3:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5a]-3:C-3:	C(C[5]C[5]N[5]H)(NC[5a])(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N(C[5a]N[5a]2)(CC[5]O)	C(C[5]C[5]N[5]H)(NC[5a])(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N(C[5a]N[5a]2)(CC[5]O)	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	113.2313	2.610	4	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	3:3:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[5]C[5]N[5]H)(NC[6a])(O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]N[5]H)(NC[6a])(O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	N(C[6a]C[6a]2)(CC[5]O)	114.9300	0.000	1	114.9300	0.000	1	114.9300	0.000	1	113.2313	2.610	4	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	3:4:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5]CH)(N[5]O[5]H)(CNO)(H)	N(CC[5]O)(CH3)	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5]CH)(N[5]O[5]H)(CNO)(H){1|C<4>,1|H<1>}	N(CC[5]O)(CH3)	116.3620	0.000	1	116.3620	0.000	1	117.1483	0.493	3	117.1483	0.493	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	3:4:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N(CC[5]O)(CCCH)	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N(CC[5]O)(CCCH)	117.7120	0.000	1	117.7120	0.000	1	117.1483	0.493	3	117.1483	0.493	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	3:4:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:C-4:	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N(CC[5]O)(CH3)	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	N(CC[5]O)(CH3)	117.3710	0.000	1	117.3710	0.000	1	117.1483	0.493	3	117.1483	0.493	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	4:3:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	N(CC[6a]2H)(CC[5]O)	C(C[5]C[5]N[5]H)(NC)(O)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){2|C<4>,2|H<1>}	N(CC[6a]2H)(CC[5]O)	114.5500	0.000	1	114.5500	0.000	1	114.5500	0.000	1	115.3203	1.153	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	4:3:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C[4]-4:C-3:	C(C[5]C[5]N[5]H)(NC[4])(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N(C[4]C[4]2C)(CC[5]O)	C(C[5]C[5]N[5]H)(NC[4])(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N(C[4]C[4]2C)(CC[5]O)	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	115.3203	1.153	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:1:	4:3:	C[5]-4:N-2:O-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C-3:	C(C[5]C[5]N[5]H)(NC[5])(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N(C[5]C[5]2C)(CC[5]O)	C(C[5]C[5]N[5]H)(NC[5])(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	N(C[5]C[5]2C)(CC[5]O)	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	115.3203	1.153	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:3:3:	4:3:	C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[5]C[6a]C[5]N[5])(NS)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CC[5]H)	C(C[5]C[6a]C[5]N[5])(NS)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN){2|H<1>,6|C<3>}	N(SC[6a]OO)(CC[5]H)	124.9810	0.000	1	124.9810	0.000	1	124.9810	0.000	1	124.9810	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:3:4:3:	3:3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-3:N-3:	C(C[5]C[5]2C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN)	N(CC[5]H)(NHS)	C(C[5]C[5]2C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN){1|C<4>,3|H<1>}	N(CC[5]H)(NHS)	121.5790	0.570	2	121.5790	0.325	2	121.5790	0.325	2	121.5790	0.325	2	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:4:3:1:	3:1:	C[5]-4:N-2:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:H-1:	C(C[5]C[5,5]C[5]H)(NH)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H)	N(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(NH)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N(CC[5]O)(H)	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:4:3:1:	3:3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:S-3:	C(C[5]C[5]2H)(NS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H)	N(CC[5]H)(SCO)	C(C[5]C[5]2H)(NS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H){4|H<1>}	N(CC[5]H)(SCO)	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	120.4400	0.799	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:4:3:1:	3:3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	N-3:C-3:	C(C[5]C[5]2H)(NN)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H)	N(NC[6a]H)(CC[5]H)	C(C[5]C[5]2H)(NN)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H){2|H<1>,2|O<1>}	N(NC[6a]H)(CC[5]H)	120.5015	1.255	2	120.5015	1.575	2	120.5015	1.575	2	120.4400	0.799	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:4:3:3:	3:3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]2C)(NC[6a])(H)	C[5](C[5]C[5]HH)2(CHN)2	N(C[6a]C[6a]2)(CC[5]H)	C(C[5]C[5]2C)(NC[6a])(H)	C[5](C[5]C[5]HH)2(CHN)2{4|H<1>}	N(C[6a]C[6a]2)(CC[5]H)	123.7752	0.754	4	123.7752	0.569	4	123.7752	0.569	4	123.7752	0.569	4	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:4:3:3:	3:4:	C[5]-4:N-2:O-1:	C[5]-4:C[5]-4:C-3:N-3:	C-3:C-4:	C(C[5]C[5]2N)(NC)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH)	N(CC[5]O)(CCCH)	C(C[5]C[5]2N)(NC)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH){2|C<3>,2|H<1>}	N(CC[5]O)(CCCH)	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:1:	4:4:4:3:	3:3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C-3:	C-3:N-3:	C(C[5]C[5]2C[6])(NN)(H)	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN)	N(CC[5]H)(NHS)	C(C[5]C[5]2C[6])(NN)(H)	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN){1|O<2>,4|C<4>,5|H<1>}	N(CC[5]H)(NHS)	121.1285	0.054	2	121.1285	0.003	2	121.1285	0.003	2	121.1285	0.003	2	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:2:	4:2:3:2:	3:1:	C[5]-4:N-2:O-2:	C[5]-4:O[5]-2:C-3:C-2:	C-3:H-1:	C(C[5]C[5]O[5]C)(NH)(OC)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN)	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(OC)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN){4|C<3>}	N(CC[5]O)(H)	125.9620	0.000	1	125.9620	0.000	1	125.9620	0.000	1	125.9620	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:2:2:	4:2:3:3:	3:1:	C[5]-4:N-2:O-2:	C[5]-4:O[5]-2:C-3:C-3:	C-3:H-1:	C(C[5]C[5]O[5]C)(NH)(OC)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(OC)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2{4|C<3>}	N(CC[5]O)(H)	126.9615	0.511	2	126.9615	0.261	2	126.9615	0.261	2	126.9615	0.261	2	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	3:2:3:3:	3:2:	C[5]-4:C-3:N-2:	C[5,6a]-3:N[5]-2:C-3:C-3:	C-3:N-2:	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO)	N(CC[5]C)(NH)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO){1|H<1>,2|C<3>,2|O<1>}	N(CC[5]C)(NH)	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	3:3:3:3:	3:1:	C[5]-4:C-3:N-2:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C-3:N-1:	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN)	N(CC[5]C)(N)	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN){1|O<1>,2|H<1>,4|C<3>}	N(CC[5]C)(N)	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	3:4:3:1:	3:2:	C[5]-4:C[6a]-3:N-2:	N[5,5]-3:C[5]-4:C-3:H-1:	C-3:O-2:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(NO)	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H)	N(CC[6a]C[5])(OH)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(NO)	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H){5|C<4>}	N(CC[6a]C[5])(OH)	118.6895	4.307	2	118.6895	18.550	2	118.6895	18.550	2	117.7047	12.185	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	3:4:3:1:	3:2:	C[5]-4:N-3:N-2:	N[5]-3:C[5]-4:C-3:H-1:	C-3:O-2:	C(C[5]C[5]N[5]H)(NHH)(NO)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H)	N(CC[5]N)(OH)	C(C[5]C[5]N[5]H)(NHH)(NO)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H){3|C<3>}	N(CC[5]N)(OH)	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	117.7047	12.185	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	4:2:3:1:	3:2:	C[5]-4:C[6a]-3:N-2:	C[5]-4:O[5]-2:C-3:H-1:	C-3:O-2:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H)	N(CC[6a]C[5])(OH)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H){2|H<1>,4|C<3>}	N(CC[6a]C[5])(OH)	115.1680	0.000	1	115.1680	0.000	1	115.1680	0.000	1	115.1680	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	4:3:3:1:	3:2:	C[5]-4:C[6a]-3:N-2:	C[5]-4:N[5]-3:C-3:H-1:	C-3:O-2:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NO)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]N)(H)	N(CC[6a]C[5])(OH)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NO)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]N)(H){1|C<3>,2|C<4>}	N(CC[6a]C[5])(OH)	117.7955	7.804	2	117.7955	60.908	2	117.7955	60.908	2	117.7955	60.908	2	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	4:3:3:3:	3:1:	C[5]-4:C-3:N-2:	C[5]-4:N[5]-3:C-3:C-3:	C-3:N-1:	C(C[5]C[5]N[5]C)(COO)(NN)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO)	N(CC[5]C)(N)	C(C[5]C[5]N[5]C)(COO)(NN)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO){2|C<3>,4|H<1>}	N(CC[5]C)(N)	123.2000	0.000	1	123.2000	0.000	1	123.2000	0.000	1	123.2000	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	4:3:3:3:	3:3:	C[5]-4:C[6a]-3:N-2:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO){1|O<1>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	123.0790	1.071	2	123.1047	0.575	3	123.1047	0.575	3	123.1047	0.575	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	4:3:3:3:	3:3:	C[5]-4:C[6a]-3:N-2:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO){4|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	123.1560	0.000	1	123.1047	0.575	3	123.1047	0.575	3	123.1047	0.575	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:3:2:	4:4:3:2:	3:1:	C[5]-4:C-3:N-2:	C[5]-4:C[5]-4:C-3:O-2:	C-3:N-1:	C(C[5]C[5]2O)(COO)(NN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi)	N(CC[5]C)(N)	C(C[5]C[5]2O)(COO)(NN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi){1|O<2>,3|H<1>}	N(CC[5]C)(N)	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:4:2:	3:3:3:1:	3:2:	C[5]-4:C-4:N-2:	C[5,6a]-3:C[5,6a]-3:C-3:H-1:	C-3:O-2:	C(C[5]C[5,6a]2H)(CC3)(NO)	C[5](C[5,6a]C[5,6a]C[6a])2(CCN)(H)	N(CC[5]C)(OH)	C(C[5]C[5,6a]2H)(CC3)(NO)	C[5](C[5,6a]C[5,6a]C[6a])2(CCN)(H){2|H<1>,4|C<3>}	N(CC[5]C)(OH)	123.8750	0.000	1	123.8750	0.000	1	123.8750	0.000	1	123.8750	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:4:2:	3:3:3:3:	3:2:	C[5]-4:C-4:N-2:	C[5]-3:C[5]-3:C-3:N-3:	C-3:O-2:	C(C[5]C[5]2N)(CH3)(NO)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	N(CC[5]C)(OC)	C(C[5]C[5]2N)(CH3)(NO)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<3>}	N(CC[5]C)(OC)	114.0360	0.000	1	113.6753	0.793	3	113.7425	0.547	4	113.7425	0.547	4	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:4:2:	3:3:3:3:	3:2:	C[5]-4:C-4:N-2:	C[5]-3:C[5]-3:C-3:N-3:	C-3:O-2:	C(C[5]C[5]2N)(CH3)(NO)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	N(CC[5]C)(OC)	C(C[5]C[5]2N)(CH3)(NO)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	N(CC[5]C)(OC)	113.4950	1.179	2	113.6753	0.793	3	113.7425	0.547	4	113.7425	0.547	4	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:4:2:	3:3:3:3:	3:2:	C[5]-4:C-4:N-2:	C[5]-3:C[5]-3:C-3:N-3:	C-3:O-2:	C(C[5]C[5]2N)(CH3)(NO)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO)	N(CC[5]C)(OC)	C(C[5]C[5]2N)(CH3)(NO)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO){1|C<3>}	N(CC[5]C)(OC)	113.9440	0.000	1	113.9440	0.000	1	113.7425	0.547	4	113.7425	0.547	4	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:4:2:	4:3:3:3:	3:3:	C[5]-4:C-4:N-2:	C[5]-4:C[5]-3:C-3:C-3:	N-3:C-3:	C(C[5]C[5]2C)(CH3)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO)	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2C)(CH3)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO){3|H<1>}	N(NC[6a]H)(CC[5]C)	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:4:2:	4:4:3:1:	3:2:	C[5]-4:C-4:N-2:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:O-2:	C(C[5]C[5,6]C[5]H)(CH3)(NO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H)	N(CC[5]C)(OH)	C(C[5]C[5,6]C[5]H)(CH3)(NO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	N(CC[5]C)(OH)	115.9665	0.260	2	115.9665	0.067	2	115.9665	0.067	2	115.9665	0.067	2	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:4:2:	4:4:3:1:	3:3:	C[5]-4:C-4:N-2:	C[5]-4:C[5]-4:C-3:H-1:	C-3:N-3:	C(C[5]C[5]2H)(CCHH)(NN)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H)	N(CC[5]C)(NHS)	C(C[5]C[5]2H)(CCHH)(NN)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H){4|H<1>}	N(CC[5]C)(NHS)	116.7410	0.871	2	116.7410	0.759	2	116.7410	0.759	2	116.4057	0.717	3	118.5838	16.461	62	118.8035	16.465	73
930	474	941	0:SP2_SP2_SP3	C	C[5]	N	4:4:2:	4:4:3:1:	3:3:	C[5]-4:C-4:N-2:	C[5]-4:C[5]-4:C-3:H-1:	N-3:C-3:	C(C[5]C[5]2H)(CCHH)(NN)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H)	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2H)(CCHH)(NN)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H){2|H<1>}	N(NC[6a]H)(CC[5]C)	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	116.4057	0.717	3	118.5838	16.461	62	118.8035	16.465	73
930	474	944	0:SP2_SP-NON_SP3	C	C[5,6]	I	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C-3:I-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C-3:	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH)	I(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH){3|C<4>,3|H<1>}	I(CC[5,6]C)	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,5,6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6])(CHH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH)	H(CC[5,5,6,6]C)	C(C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6])(CHH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH){2|C<3>,3|C<4>,5|H<1>}	H(CC[5,5,6,6]C)	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:	4:4:3:3:	3:	C[5,5,6]-4:H-1:O-1:	C[5,5,6]-4:C[5,5,6,6]-4:C[6]-3:C-3:	C-3:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO)	H(CC[5,5,6]O)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO){2|O<2>,4|C<4>,6|H<1>}	H(CC[5,5,6]O)	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	115.5000	11.423	8	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:	5:2:3:3:	3:	C[5,5,6]-4:H-1:H-1:	C[3,5,6]-5:N[5,5]-2:C[5,6]-3:C-3:	C-3:	C(C[5,5,6]C[3,5,6]C[5,6]N[5,5])(H)2	C[5,5,6](C[3,5,6]C[5,6]H[3]2Re)(N[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHH)	H(CC[5,5,6]H)	C(C[5,5,6]C[3,5,6]C[5,6]N[5,5])(H)2	C[5,5,6](C[3,5,6]C[5,6]H[3]2Re)(N[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,5,6]H)	111.4125	2.717	2	111.4125	7.384	2	111.4125	7.384	2	111.4125	7.384	2	115.5000	11.423	8	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:	4:2:3:3:	3:	C[5,5,6]-4:N-2:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C-3:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN)	H(CC[5,5,6]N)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,5,6]N)	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	115.5000	11.423	8	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:	4:4:2:3:	3:	C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-3:	C-3:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCC)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH)	H(CC[5,5,6]C)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCC)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH){1|C<4>,1|O<1>,4|H<1>}	H(CC[5,5,6]C)	115.4930	0.000	1	115.4930	0.000	1	114.6395	1.457	2	115.3250	2.138	3	115.5000	11.423	8	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:	4:4:2:3:	3:	C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-3:	C-3:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH)	H(CC[5,5,6]C)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH){1|C<4>,1|O<1>,4|H<1>}	H(CC[5,5,6]C)	113.7860	0.000	1	113.7860	0.000	1	114.6395	1.457	2	115.3250	2.138	3	115.5000	11.423	8	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:	4:4:2:3:	3:	C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C-3:	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH)	H(CC[5,5,6]C)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH){1|N<3>,1|O<1>,2|H<1>}	H(CC[5,5,6]C)	116.6960	0.000	1	116.6960	0.000	1	116.6960	0.000	1	115.3250	2.138	3	115.5000	11.423	8	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-3:	C-3:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH)	H(CC[5,5,6]C)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(CC[5,5,6]C)	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	115.5000	11.423	8	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:1:1:	3:3:4:3:	3:	C[5,5]-4:H-1:O-1:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-3:	C-3:	C(C[5,5]C[3,5,5]C[5,6a]2)(H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO)	H(CC[5,5]O)	C(C[5,5]C[3,5,5]C[5,6a]2)(H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO){3|H<1>,5|C<3>}	H(CC[5,5]O)	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:1:1:	4:4:4:3:	3:	C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-3:	C-3:	C(C[5,5]C[5,5,6]2C)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)(CHH)	H(CC[5,5]H)	C(C[5,5]C[5,5,6]2C)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)(CHH){1|O<1>,2|O<2>,4|H<1>}	H(CC[5,5]H)	109.4840	0.021	2	109.4840	0.000	2	111.8450	11.686	4	113.0116	15.570	5	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:1:1:	4:4:4:3:	3:	C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-3:	C-3:	C(C[5,5]C[5,5,6]2C)(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(CH3)(CHH)	H(CC[5,5]H)	C(C[5,5]C[5,5,6]2C)(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(CH3)(CHH){1|O<1>,4|H<1>}	H(CC[5,5]H)	114.2060	3.572	2	114.2060	12.761	2	111.8450	11.686	4	113.0116	15.570	5	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:1:1:	4:4:4:3:	3:	C[5,5]-4:H-1:O-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C-3:	C-3:	C(C[5,5]C[5,5,6]C[5]2)(H)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]C[5]HH)(CHO)	H(CC[5,5]O)	C(C[5,5]C[5,5,6]C[5]2)(H)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]C[5]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,7|H<1>}	H(CC[5,5]O)	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	113.0116	15.570	5	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:2:1:	3:4:3:1:	3:	C[5,5]-4:N-2:H-1:	N[5,5]-3:C[3,5,5]-4:C-3:H-1:	C-3:	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H)	H(CC[5,5]N)	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H){2|C<3>}	H(CC[5,5]N)	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:3:1:	3:4:2:3:	3:	C[5,5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C-3:	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	H(CC[5,5]C)	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	H(CC[5,5]C)	117.2710	0.327	3	117.2710	0.107	3	117.2710	0.107	3	117.2710	0.107	3	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:3:1:	3:4:4:3:	3:	C[5,5]-4:C-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C-3:	C(C[5,5]C[5,5]C[5]2)(CHH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH)	H(CC[5,5]C)	C(C[5,5]C[5,5]C[5]2)(CHH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH){1|S<4>,5|H<1>}	H(CC[5,5]C)	116.3880	0.027	2	116.3880	0.001	2	116.3880	0.001	2	116.3880	0.001	2	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:3:1:	4:3:2:3:	3:	C[5,5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C-3:	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	H(CC[5,5]C)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	H(CC[5,5]C)	117.7083	0.348	3	117.7083	0.121	3	117.7083	0.121	3	117.7083	0.121	3	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:3:1:	4:4:3:1:	3:	C[5,5]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C-3:	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H)	H(CC[5,5]C)	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,5]C)	118.3220	0.000	1	118.3220	0.000	1	117.5630	0.456	3	117.5630	0.456	3	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,5]	H	4:3:1:	4:4:3:1:	3:	C[5,5]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C-3:	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H)	H(CC[5,5]C)	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,5]C)	117.1835	0.217	2	117.1835	0.047	2	117.5630	0.456	3	117.5630	0.456	3	116.2533	8.333	18	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:	4:2:2:3:	3:	C[5,6,6]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	C-3:	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	H(CC[5,6,6]H)	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	H(CC[5,6,6]H)	107.3405	1.835	2	107.3405	3.367	2	107.3405	3.367	2	107.3405	3.367	2	110.2270	26.679	3	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(CHH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CCH)	H(CC[5,6,6]C)	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(CHH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CCH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(CC[5,6,6]C)	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	110.2270	26.679	3	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	3:3:2:3:	3:	C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-2:C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,6]C[5]C[6])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH){2|C<2>}	H(CC[5,6]H)	109.9855	0.387	2	109.9855	0.150	2	109.9855	0.150	2	109.9855	0.150	2	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	3:3:4:3:	3:	C[5,6]-4:H-1:O-1:	C[5,6]-3:N[5]-3:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6]C[6]N[5])(H)(O)	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO)	H(CC[5,6]O)	C(C[5,6]C[5,6]C[6]N[5])(H)(O)	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO){1|C<4>,2|H<1>,5|C<3>}	H(CC[5,6]O)	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	3:4:3:3:	3:	C[5,6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:C-3:	C-3:	C(C[5,6]C[5,6]C[6]N[5])(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,6]C[6]N[5])(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH){2|C<4>,3|C<3>}	H(CC[5,6]H)	114.7910	3.874	2	114.7910	15.004	2	114.7910	15.004	2	114.7910	15.004	2	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	3:4:4:3:	3:	C[5,6]-4:H-1:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO)	H(CC[5,6]O)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO){2|H<1>,4|C<3>}	H(CC[5,6]O)	117.6510	0.246	2	117.6510	0.061	2	117.6510	0.061	2	117.4650	0.134	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	3:4:4:3:	3:	C[5,6]-4:H-1:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO)	H(CC[5,6]O)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]O)	117.0930	0.000	1	117.0930	0.000	1	117.0930	0.000	1	117.4650	0.134	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	4:4:2:3:	3:	C[5,6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C-3:	C(C[5,6]C[5,6]C[6]O[5])(H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO)	H(CC[5,6]O)	C(C[5,6]C[5,6]C[6]O[5])(H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]O)	117.2690	0.000	1	117.2690	0.000	1	117.2690	0.000	1	117.2690	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	4:4:3:3:	3:	C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C-3:	C(C[5,6]C[5,6,6]C[5]C[6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,6,6]C[5]C[6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH){3|H<1>,4|C<4>}	H(CC[5,6]H)	107.9920	5.344	2	107.9920	28.562	2	107.9920	28.562	2	113.0655	43.841	4	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	4:4:3:3:	3:	C[5,6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO)	H(CC[5,6]O)	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]O)	118.1390	0.000	2	118.1390	0.000	2	118.1390	0.000	2	113.0655	43.841	4	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	4:4:4:3:	3:	C[5,6]-4:H-1:O-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6,6]C[5]C[6])(H)(O)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO)	H(CC[5,6]O)	C(C[5,6]C[5,5,6,6]C[5]C[6])(H)(O)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO){2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]O)	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	116.7772	0.577	4	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	4:4:4:3:	3:	C[5,6]-4:H-1:O-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5]C[6])(H)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO)	H(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5]C[6])(H)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]O)	116.9620	0.000	1	116.9620	0.000	1	116.9620	0.000	1	116.7772	0.577	4	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:1:1:	4:4:4:3:	3:	C[5,6]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO)	H(CC[5,6]O)	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]O)	116.2050	0.346	2	116.2050	0.120	2	116.2050	0.120	2	116.7772	0.577	4	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:2:1:	3:3:3:3:	3:	C[5,6]-4:C-2:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C-3:	C(C[5,6]C[5a,6]N[5,6]C[5])(CC)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5a,6]N[5,6]C[5])(CC)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH){1|C<4>,6|C<3>}	H(CC[5,6]C)	115.1830	0.000	1	115.1830	0.000	1	115.1830	0.000	1	115.1830	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:2:1:	4:4:3:2:	3:	C[5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C-3:	C(C[5,6]C[5,5,6]C[5,6]O)(CC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]O)(CC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH){2|H<1>,4|C<4>}	H(CC[5,6]C)	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:2:1:	4:4:3:3:	3:	C[5,6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH){1|C<4>,1|O<1>,5|H<1>}	H(CC[5,6]C)	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	117.4930	20.327	2	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:2:1:	4:4:3:3:	3:	C[5,6]-4:N-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C-3:	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN)	H(CC[5,6]N)	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN){1|C<3>,1|O<1>,4|H<1>}	H(CC[5,6]N)	120.6810	0.000	1	120.6810	0.000	1	120.6810	0.000	1	117.4930	20.327	2	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:2:1:	4:4:4:3:	3:	C[5,6]-4:N-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	H(CC[5,6]N)	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	H(CC[5,6]N)	118.0470	0.569	4	118.0470	0.324	4	117.5678	1.391	5	117.5678	1.391	5	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:2:1:	4:4:4:3:	3:	C[5,6]-4:N-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	H(CC[5,6]N)	C(C[5,6]C[5,6]2C[6])(NN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	H(CC[5,6]N)	115.6510	0.000	1	115.6510	0.000	1	117.5678	1.391	5	117.5678	1.391	5	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	3:3:2:3:	3:	C[5,6]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C-3:	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	H(CC[5,6]C)	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(CC[5,6]C)	117.9880	0.000	1	117.9880	0.000	1	117.9880	0.000	1	117.9880	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH){1|O<2>,3|C<3>,5|H<1>}	H(CC[5,6]C)	116.5065	0.093	2	116.5065	0.009	2	116.5065	0.009	2	116.6377	0.056	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C-3:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C-3:	C(C[5,6]C[5a,6]N[5,6]C[5])(CCH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(CC[5,6]C)	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	116.6377	0.056	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	3:4:2:3:	3:	C[5,6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	C-3:	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	H(CC[5,6]C)	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH){2|H<1>,4|C<3>}	H(CC[5,6]C)	117.7430	0.710	2	117.7430	0.504	2	117.7430	0.504	2	117.7430	0.504	2	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	C-3:	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH)	H(CC[5,6]C)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH){1|C<4>,3|H<1>,8|C<3>}	H(CC[5,6]C)	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	116.9287	0.367	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C-3:	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH)	H(CC[5,6]C)	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	H(CC[5,6]C)	116.6665	0.566	2	116.6665	0.321	2	116.6665	0.321	2	116.9287	0.367	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:3:2:3:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C-3:	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	H(CC[5,6]C)	116.7810	0.000	1	116.7810	0.000	1	116.7810	0.000	1	116.7810	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C-3:H-1:	C[3x5,6]-4:N[5,6]-3:N[6]-3:C-3:	C-3:	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH)	H(CC[5,6]C)	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(CC[5,6]C)	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6]-4:C-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]C)	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:2:3:	3:	C[5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C-3:	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]C)	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]C)	115.1510	0.000	1	115.1510	0.000	1	115.1510	0.000	1	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]C)	115.7715	0.078	2	115.7715	0.006	2	115.7715	0.006	2	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(CCC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]H)(CCC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(CCH)(H){1|H<1>,2|C<3>}	H(CC[5,6]C)	117.0490	0.767	2	117.0490	0.588	2	117.0490	0.588	2	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H){3|C<4>,6|H<1>}	H(CC[5,6]C)	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,1|O<1>,4|H<1>}	H(CC[5,6]C)	115.4000	2.329	2	114.5813	4.723	3	116.7263	3.928	9	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,6|H<1>}	H(CC[5,6]C)	112.9440	0.000	1	114.5813	4.723	3	116.7263	3.928	9	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]C)	118.1700	0.000	1	117.5143	0.329	3	116.7263	3.928	9	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]C)	117.1865	0.112	2	117.5143	0.329	3	116.7263	3.928	9	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]C)	118.2255	0.101	2	118.0833	0.066	3	116.7263	3.928	9	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]2H)(CHH)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(CC[5,6]C)	117.7990	0.000	1	118.0833	0.066	3	116.7263	3.928	9	116.5874	2.630	15	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C-3:	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH){4|C<4>,4|H<1>}	H(CC[5,6]C)	116.9110	0.725	2	116.9110	0.526	2	116.9110	0.526	2	116.5357	0.686	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	C-3:	C(C[5,6]C[5,6]2O)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	H(CC[5,6]C)	C(C[5,6]C[5,6]2O)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]C)	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	116.5357	0.686	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH){1|H<1>,3|C<3>,3|C<4>}	H(CC[5,6]C)	115.4435	0.643	2	115.4435	0.413	2	115.4435	0.413	2	114.9250	0.759	4	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C-3:	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH){2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]C)	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	114.9250	0.759	4	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C-3:	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH){1|C<3>,1|O<1>,5|H<1>}	H(CC[5,6]C)	115.0340	0.000	1	115.0340	0.000	1	115.0340	0.000	1	114.9250	0.759	4	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(CCCH)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(CCCH)(CCH){1|H<1>,1|N<2>,5|C<3>}	H(CC[5,6]C)	114.5040	0.000	1	114.5040	0.000	1	114.5040	0.000	1	115.3103	0.523	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5,6]C)	115.5260	0.000	1	115.5260	0.000	1	115.5260	0.000	1	115.3103	0.523	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	H(CC[5,6]C)	115.9010	0.000	1	115.9010	0.000	1	115.9010	0.000	1	115.3103	0.523	3	116.0126	6.505	64	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	3:4:1:	3:3:3:1:	3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5])(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[5]H)(H)	H(CC[5]2)	C(C[5]C[5,5]C[5])(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[5]H)(H){2|C<3>}	H(CC[5]2)	115.7450	0.000	1	115.7450	0.000	1	115.7450	0.000	1	115.7450	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	2:2:3:3:	3:	C[5]-4:H-1:H-1:	O[5]-2:O[5]-2:C-3:C-3:	C-3:	C(C[5]O[5]2C)(H)2	C[5](O[5]C[5])2(CHH)2	H(CC[5]H)	C(C[5]O[5]2C)(H)2	C[5](O[5]C[5])2(CHH)2{1|C<4>,3|H<1>}	H(CC[5]H)	106.7448	9.165	4	106.7448	83.992	4	106.7448	83.992	4	106.7448	83.992	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	2:2:4:3:	3:	C[5]-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-3:	C-3:	C(C[5]O[5]2C)(H)2	C[5](O[5]C[5,6])2(CH3)(CHH)	H(CC[5]H)	C(C[5]O[5]2C)(H)2	C[5](O[5]C[5,6])2(CH3)(CHH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]H)	110.7885	5.642	2	110.3613	14.241	4	110.3613	14.241	4	110.3613	14.241	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	2:2:4:3:	3:	C[5]-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-3:	C-3:	C(C[5]O[5]2C)(H)2	C[5](O[5]C[5,6])2(CH3)(CHH)	H(CC[5]H)	C(C[5]O[5]2C)(H)2	C[5](O[5]C[5,6])2(CH3)(CHH){2|C<4>,2|H<1>}	H(CC[5]H)	109.9340	3.188	2	110.3613	14.241	4	110.3613	14.241	4	110.3613	14.241	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	3:3:3:3:	3:	C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-3:C-3:	C-3:	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]C)(N[5]C[5]O)(CHH)2	H(CC[5]H)	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]C)(N[5]C[5]O)(CHH)2{1|Ni<6>,2|C<4>}	H(CC[5]H)	109.2660	5.059	4	109.2660	25.593	4	109.2660	25.593	4	109.2660	25.593	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	3:3:4:3:	3:	C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)(CHH){1|Ni<6>,2|C<4>}	H(CC[5]H)	107.5890	6.071	2	107.5890	36.860	2	107.5890	36.860	2	107.5890	36.860	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	3:4:3:2:	3:	C[5]-4:H-1:O-1:	N[5]-3:C[5]-4:C-3:O-2:	C-3:	C(C[5]C[5]N[5]O)(H)(O)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CHO)(OH)	H(CC[5]O)	C(C[5]C[5]N[5]O)(H)(O)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CHO)(OH){3|C<3>}	H(CC[5]O)	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	3:4:4:3:	3:	C[5]-4:H-1:O-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C-3:	C(C[5]C[5,6a]C[5,6]C)(H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO)	H(CC[5]O)	C(C[5]C[5,6a]C[5,6]C)(H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO){2|C<4>,4|C<3>,4|H<1>}	H(CC[5]O)	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:2:4:3:	3:	C[5]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5,5,6]O[5]C)(H)2	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(CH3)(CHH)	H(CC[5]H)	C(C[5]C[5,5,6]O[5]C)(H)2	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(CH3)(CHH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]H)	110.9675	0.158	2	110.9675	0.025	2	110.9675	0.025	2	113.4970	19.208	3	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:2:4:3:	3:	C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(H)(O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO)	H(CC[5]O)	C(C[5]C[5]O[5]C)(H)(O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO){1|O<1>,3|C<3>}	H(CC[5]O)	118.5560	0.000	1	118.5560	0.000	1	118.5560	0.000	1	113.4970	19.208	3	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:3:3:1:	3:	C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CHH)(H)	H(CC[5]H)	C(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CHH)(H){1|H<1>,3|C<3>}	H(CC[5]H)	112.4860	2.390	2	112.4860	5.712	2	112.4860	5.712	2	112.4860	5.712	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:3:3:2:	3:	C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C-3:	C(C[5]C[5]2O)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC)	H(CC[5]H)	C(C[5]C[5]2O)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC){2|C<3>}	H(CC[5]H)	113.2555	0.404	2	113.2555	0.163	2	113.2555	0.163	2	113.2555	0.163	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:3:4:3:	3:	C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH){1|C<3>,1|O<1>}	H(CC[5]H)	109.7037	1.662	4	108.9153	10.259	10	108.9153	10.259	10	110.5311	22.635	12	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:3:4:3:	3:	C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH){1|C<3>,1|O<2>}	H(CC[5]H)	109.4420	0.952	2	108.9153	10.259	10	108.9153	10.259	10	110.5311	22.635	12	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:3:4:3:	3:	C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH){1|C<3>}	H(CC[5]H)	103.8340	0.816	2	108.9153	10.259	10	108.9153	10.259	10	110.5311	22.635	12	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:3:4:3:	3:	C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH){1|C<4>,1|O<1>}	H(CC[5]H)	111.8930	3.171	2	108.9153	10.259	10	108.9153	10.259	10	110.5311	22.635	12	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:3:4:3:	3:	C[5]-4:H-1:O-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(H)(O)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(CHO)	H(CC[5]O)	C(C[5]C[5]N[5]C)(H)(O)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(CHO){1|C<4>,1|H<1>}	H(CC[5]O)	118.6100	0.095	2	118.6100	0.009	2	118.6100	0.009	2	110.5311	22.635	12	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:2:3:	3:	C[5]-4:H-1:O-1:	C[6]-4:C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]C[6]O[5])(H)(O)	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO)	H(CC[5]O)	C(C[5]C[5]C[6]O[5])(H)(O)	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO){1|C<4>,1|N<3>,3|C<3>}	H(CC[5]O)	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H)	H(CC[5]H)	C(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H){1|H<1>,3|C<4>}	H(CC[5]H)	112.3210	0.024	2	112.3210	0.001	2	117.4528	15.803	6	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H)	H(CC[5]H)	C(C[5]C[5]2H)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]H)	120.0187	0.040	4	120.0187	0.002	4	117.4528	15.803	6	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5,6]H)(H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,5]C[5,6]H)(H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]O)	117.2470	0.000	1	116.5290	1.031	2	116.5290	1.031	2	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5,6]H)(H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,5]C[5,6]H)(H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){3|H<1>,4|C<4>}	H(CC[5]O)	115.8110	0.000	1	116.5290	1.031	2	116.5290	1.031	2	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(H)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,5]C[5]H)(H)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]O)	118.7150	0.000	1	118.7150	0.000	1	117.7605	0.422	4	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(H)(O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,5]C[5]H)(H)(O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(CHO)(H){2|C<3>,3|H<1>}	H(CC[5]O)	117.4090	0.209	2	117.4090	0.044	2	117.7605	0.422	4	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(H)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,5]C[5]H)(H)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]O)	117.5090	0.000	1	117.5090	0.000	1	117.7605	0.422	4	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]2H)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,6]2H)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]O)	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H){1|H<1>,1|O<1>,4|C<4>}	H(CC[5]O)	118.2025	0.521	2	118.2025	0.272	2	118.0178	0.153	5	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H){1|O<2>,3|C<3>,3|H<1>}	H(CC[5]O)	117.5360	0.000	1	117.5360	0.000	1	118.0178	0.153	5	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H){1|C<3>,1|O<2>,3|H<1>}	H(CC[5]O)	118.2010	0.000	1	118.2010	0.000	1	118.0178	0.153	5	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H)	H(CC[5]O)	C(C[5]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H){2|C<2>,5|C<3>}	H(CC[5]O)	117.9470	0.000	1	117.9470	0.000	1	118.0178	0.153	5	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){1|N<2>,2|H<1>,3|C<3>}	H(CC[5]O)	117.8945	0.132	2	117.0200	1.205	4	117.1175	1.364	13	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	H(CC[5]O)	116.1455	0.733	2	117.0200	1.205	4	117.1175	1.364	13	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H){2|C<3>,4|H<1>}	H(CC[5]O)	116.5890	0.000	1	116.5890	0.000	1	117.1175	1.364	13	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H){2|C<2>,2|C<3>,2|H<1>}	H(CC[5]O)	117.4575	0.619	2	117.4575	0.383	2	117.1175	1.364	13	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(CC[5]O)	115.6565	2.248	2	115.6565	5.053	2	117.1175	1.364	13	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){2|C<3>,2|H<1>}	H(CC[5]O)	117.9140	0.000	1	117.9300	0.001	2	117.1175	1.364	13	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){3|C<3>}	H(CC[5]O)	117.9460	0.000	1	117.9300	0.001	2	117.1175	1.364	13	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:1:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(H)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H){1|C<4>,3|C<3>}	H(CC[5]O)	117.8855	0.006	2	117.8855	0.000	2	117.1175	1.364	13	117.3548	3.464	31	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:3:2:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:C-2:	C-3:	C(C[5]C[5]2C)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC)	H(CC[5]O)	C(C[5]C[5]2C)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC){1|H<1>,3|C<3>}	H(CC[5]O)	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:4:3:	3:	C[5]-4:H-1:O-1:	C[5,5]-4:C[5,6]-4:C-4:C-3:	C-3:	C(C[5]C[5,5]C[5,6]C)(H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	H(CC[5]O)	C(C[5]C[5,5]C[5,6]C)(H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]O)	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	116.8670	1.122	5	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:4:3:	3:	C[5]-4:H-1:O-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5,5]C[5]C)(H)(O)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(CHO)	H(CC[5]O)	C(C[5]C[5,5]C[5]C)(H)(O)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(CHO){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]O)	117.5130	0.000	1	117.5130	0.000	1	117.5130	0.000	1	116.8670	1.122	5	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:4:3:	3:	C[5]-4:H-1:O-1:	C[5,6]-4:C[5,6]-4:C-4:C-3:	C-3:	C(C[5]C[5,6]2C)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	H(CC[5]O)	C(C[5]C[5,6]2C)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]O)	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	116.8670	1.122	5	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:4:3:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5]2C)(H)(O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO)	H(CC[5]O)	C(C[5]C[5]2C)(H)(O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO){1|H<1>,3|C<4>}	H(CC[5]O)	117.2420	0.000	1	117.2420	0.000	1	116.1200	2.518	2	116.8670	1.122	5	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:1:1:	4:4:4:3:	3:	C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5]2C)(H)(O)	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CH3)(CHO)	H(CC[5]O)	C(C[5]C[5]2C)(H)(O)	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CH3)(CHO){1|C<3>,2|H<1>}	H(CC[5]O)	114.9980	0.000	1	114.9980	0.000	1	116.1200	2.518	2	116.8670	1.122	5	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	3:3:2:3:	3:	C[5]-4:C-2:H-1:	C[5,6a]-3:C[5]-3:S-2:C-3:	C-3:	C(C[5]C[5,6a]C[5]S)(CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5]S)(CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a])(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	3:3:3:1:	3:	C[5]-4:C-2:H-1:	N[5]-3:N[5]-3:C-3:H-1:	C-3:	C(C[5]N[5]2H)(CC)(H)	C[5](N[5]C[5,6a]S)2(CCH)(H)	H(CC[5]C)	C(C[5]N[5]2H)(CC)(H)	C[5](N[5]C[5,6a]S)2(CCH)(H){2|C<3>}	H(CC[5]C)	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	119.5510	1.996	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	3:3:3:1:	3:	C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]2H)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHO)(H)	H(CC[5]O)	C(C[5]C[5,6a]2H)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHO)(H){2|H<1>,4|C<3>}	H(CC[5]O)	120.5500	0.000	1	120.5500	0.000	1	120.5500	0.000	1	119.5510	1.996	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	3:3:3:2:	3:	C[5]-4:C-2:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C-3:	C(C[5]C[5,6a]C[5]O)(CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5,6a]C[5]O)(CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH){2|C<3>,2|H<1>}	H(CC[5]C)	118.2140	0.000	1	118.2140	0.000	1	118.2140	0.000	1	118.2140	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	3:3:3:3:	3:	C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO)	H(CC[5]O)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]O)	122.4350	0.000	1	122.4350	0.000	1	122.4350	0.000	1	122.4350	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:2:3:1:	3:	C[5]-4:C-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H){1|O<1>,1|S<4>}	H(CC[5]C)	118.5570	0.000	1	118.5570	0.000	1	118.5570	0.000	1	120.9510	11.462	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:2:3:1:	3:	C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H)	H(CC[5]O)	C(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]O)	123.3450	0.000	1	123.3450	0.000	1	123.3450	0.000	1	120.9510	11.462	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:3:3:3:	3:	C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[6a]C[5]N[5])(NS)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	H(CC[5]N)	C(C[5]C[6a]C[5]N[5])(NS)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN){2|H<1>,6|C<3>}	H(CC[5]N)	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:3:4:3:	3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]2C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN)	H(CC[5]N)	C(C[5]C[5]2C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN){1|C<4>,3|H<1>}	H(CC[5]N)	119.2040	0.249	2	119.2040	0.062	2	119.2040	0.062	2	119.2040	0.062	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:4:3:1:	3:	C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5]C)	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	118.6912	5.002	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:4:3:1:	3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(NN)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H)	H(CC[5]N)	C(C[5]C[5]2H)(NN)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H){2|H<1>,2|O<1>}	H(CC[5]N)	119.7545	0.643	2	119.7545	0.413	2	119.7937	0.211	3	118.6912	5.002	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:4:3:1:	3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(NS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H)	H(CC[5]N)	C(C[5]C[5]2H)(NS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H){4|H<1>}	H(CC[5]N)	119.8720	0.000	1	119.8720	0.000	1	119.7937	0.211	3	118.6912	5.002	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:4:3:3:	3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C-3:	C(C[5]C[5]2C)(NC[6a])(H)	C[5](C[5]C[5]HH)2(CHN)2	H(CC[5]N)	C(C[5]C[5]2C)(NC[6a])(H)	C[5](C[5]C[5]HH)2(CHN)2{4|H<1>}	H(CC[5]N)	118.0987	0.413	4	118.0987	0.170	4	118.0987	0.170	4	118.0987	0.170	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:2:1:	4:4:4:3:	3:	C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C-3:	C-3:	C(C[5]C[5]2C[6])(NN)(H)	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN)	H(CC[5]N)	C(C[5]C[5]2C[6])(NN)(H)	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN){1|O<2>,4|C<4>,5|H<1>}	H(CC[5]N)	118.2100	0.546	2	118.2100	0.298	2	118.2100	0.298	2	118.2100	0.298	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	2:2:4:3:	3:	C[5]-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-3:	C-3:	C(C[5]O[5]2C)(CHH)(H)	C[5](O[5]C[5])2(CC[5]CH)(CCH)	H(CC[5]C)	C(C[5]O[5]2C)(CHH)(H)	C[5](O[5]C[5])2(CC[5]CH)(CCH){4|H<1>}	H(CC[5]C)	116.1560	0.000	1	116.1560	0.000	1	116.1560	0.000	1	116.1560	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-3:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5,6]O[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]O[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]C)	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	118.0621	1.631	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H){1|C<4>,2|H<1>}	H(CC[5]C)	115.7335	0.465	2	115.7335	0.216	2	118.0393	2.558	7	118.0621	1.631	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>}	H(CC[5]C)	118.9616	0.247	5	118.9616	0.061	5	118.0393	2.558	7	118.0621	1.631	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:3:1:	3:	C[5]-4:C-3:H-1:	N[5,5a]-3:O[5]-2:C-3:H-1:	C-3:	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	H(CC[5]C)	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.0621	1.631	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:3:1:	3:	C[5]-4:C-3:H-1:	N[5]-3:O[5]-2:C-3:H-1:	C-3:	C(C[5]N[5]O[5]H)(CCH)(H)	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]N[5]O[5]H)(CCH)(H)	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H){1|O<1>,2|C<4>}	H(CC[5]C)	117.3690	0.000	1	117.3690	0.000	1	117.3690	0.000	1	118.0621	1.631	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:3:1:	3:	C[5]-4:C-3:H-1:	N[5]-3:S[5]-2:C-3:H-1:	C-3:	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H)	H(CC[5]C)	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H){2|C<3>}	H(CC[5]C)	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.0621	1.631	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-3:C-3:	C-3:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	H(CC[5]C)	116.2140	0.379	2	116.2140	0.144	2	117.1685	0.687	6	116.6407	2.523	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>}	H(CC[5]C)	117.9920	0.000	1	117.9920	0.000	1	117.1685	0.687	6	116.6407	2.523	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH){2|C<3>}	H(CC[5]C)	117.3030	0.300	2	117.3030	0.090	2	117.1685	0.687	6	116.6407	2.523	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CHH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CHH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|O<1>}	H(CC[5]C)	117.9850	0.000	1	117.9850	0.000	1	117.1685	0.687	6	116.6407	2.523	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:2:4:3:	3:	C[5]-4:C-3:H-1:	N[5]-3:S[5]-2:C-4:C-3:	C-3:	C(C[5]N[5]S[5]C)(CCC)(H)	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CCH)	H(CC[5]C)	C(C[5]N[5]S[5]C)(CCC)(H)	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CCH){1|N<3>}	H(CC[5]C)	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	116.6407	2.523	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:2:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	H(CC[5]C)	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	116.5010	0.648	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:2:3:	3:	C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:C-3:	C-3:	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH){2|H<1>,4|C<3>}	H(CC[5]C)	115.9320	0.000	1	115.9320	0.000	1	115.9320	0.000	1	116.5010	0.648	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:1:	3:	C[5]-4:C-3:H-1:	B[5]-3:N[5]-3:C-3:H-1:	C-3:	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(CCH)(H){1|H<1>,5|C<3>}	H(CC[5]C)	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	117.0391	8.833	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H){3|H<1>,4|C<3>}	H(CC[5]C)	117.9970	0.570	2	117.9970	0.325	2	117.9970	0.325	2	117.0391	8.833	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H){1|C<4>,2|H<1>}	H(CC[5]C)	117.8310	0.000	1	117.8310	0.000	1	118.2227	1.963	3	117.0391	8.833	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]S[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]S[5]C)(CCH)(H){1|C<4>}	H(CC[5]C)	119.7780	0.000	1	119.7780	0.000	1	118.2227	1.963	3	117.0391	8.833	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H){1|Si<4>,1|C<3>,1|H<1>}	H(CC[5]C)	117.0590	0.000	1	117.0590	0.000	1	118.2227	1.963	3	117.0391	8.833	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H){1|C<3>,1|O<1>}	H(CC[5]C)	117.5110	0.000	1	117.5110	0.000	1	113.7385	28.464	2	117.0391	8.833	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H){3|H<1>}	H(CC[5]C)	109.9660	0.000	1	109.9660	0.000	1	113.7385	28.464	2	117.0391	8.833	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:2:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:O-2:	C-3:	C(C[5]C[5]2O)(CC[6a]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC)	H(CC[5]C)	C(C[5]C[5]2O)(CC[6a]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC){4|H<1>}	H(CC[5]C)	116.5670	0.000	1	116.5670	0.000	1	116.5670	0.000	1	116.5670	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2	H(CC[5]C)	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2{2|C<3>,2|H<1>}	H(CC[5]C)	114.5260	0.570	2	114.5260	0.325	2	114.5260	0.325	2	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C-3:	C(C[5]C[5,6a]C[5]N)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5]N)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	116.7970	0.000	1	116.7970	0.000	1	116.7970	0.000	1	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(CC[5]C)	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]C)	115.0070	0.000	1	115.0070	0.000	1	116.1460	2.595	2	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]C)	117.2850	0.000	1	117.2850	0.000	1	116.1460	2.595	2	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH){1|O<1>,3|H<1>,4|C<3>}	H(CC[5]C)	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:C-3:	C-3:	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO)	H(CC[5]C)	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO){1|C<3>,3|H<1>}	H(CC[5]C)	119.0960	0.000	1	119.0960	0.000	1	117.1965	7.216	2	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:C-3:	C-3:	C(C[5]C[5]2C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO)	H(CC[5]C)	C(C[5]C[5]2C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO){2|C<3>}	H(CC[5]C)	115.2970	0.000	1	115.2970	0.000	1	117.1965	7.216	2	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH){1|S<4>,2|C<3>,4|H<1>}	H(CC[5]C)	116.6760	0.000	1	116.6760	0.000	1	115.1560	4.621	2	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH){3|C<3>,3|H<1>}	H(CC[5]C)	113.6360	0.000	1	113.6360	0.000	1	115.1560	4.621	2	116.0882	3.173	11	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:3:4:	3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C-3:	C(C[5]C[5,6a]C[5]C)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	H(CC[5]2)	C(C[5]C[5,6a]C[5]C)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]2)	116.3495	0.978	2	116.3495	0.956	2	116.3495	0.956	2	116.3495	0.956	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-3:	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH){1|H<1>,4|C<3>}	H(CC[5]C)	115.7880	0.000	1	115.7880	0.000	1	115.7805	0.000	2	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-3:	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	115.7730	0.000	1	115.7730	0.000	1	115.7805	0.000	2	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[3]-4:C-3:	C-3:	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH){4|C<3>,6|H<1>}	H(CC[5]C)	116.7300	0.000	1	116.7300	0.000	1	116.7300	0.000	1	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]C)2(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]C)2(CH3)(CCH){2|C<4>}	H(CC[5]C)	114.3710	0.000	1	114.3710	0.000	1	115.8940	1.794	3	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH){1|C<3>}	H(CC[5]C)	116.6555	0.330	2	116.6555	0.109	2	115.8940	1.794	3	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:Si-4:C-3:	C-3:	C(C[5]C[5]2Si)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH)	H(CC[5]C)	C(C[5]C[5]2Si)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH){1|C<3>,2|H<1>}	H(CC[5]C)	116.7940	0.000	1	116.7940	0.000	1	116.7940	0.000	1	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH){2|C<3>}	H(CC[5]C)	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(CCC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CCC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH){1|C<4>,1|O<1>,3|C<3>}	H(CC[5]C)	114.9730	0.000	1	114.9730	0.000	1	114.9730	0.000	1	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:3:4:3:	3:	C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[6a]C[5]N[5])(CHH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]N[5])(CHH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|S<1>,2|H<1>,4|C<3>}	H(CC[5]C)	116.2840	0.000	1	116.2840	0.000	1	116.2840	0.000	1	116.1682	0.943	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,1|H<1>,5|C<3>}	H(CC[5]C)	117.3750	0.085	2	117.3750	0.007	2	117.3750	0.007	2	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){1|O<2>,2|C<3>,2|H<1>}	H(CC[5]C)	117.9700	0.000	1	117.9700	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	H(CC[5]C)	116.5760	0.000	1	116.5760	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){2|C<3>,3|H<1>}	H(CC[5]C)	117.6550	0.000	1	117.6550	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H){1|H<1>,2|C<3>}	H(CC[5]C)	116.7960	0.482	2	116.7960	0.233	2	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H){1|H<1>,2|C<3>}	H(CC[5]C)	118.2280	0.000	1	118.2280	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H){3|C<3>}	H(CC[5]C)	117.1320	0.000	1	117.1320	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H){1|H<1>,1|N<3>,5|C<3>}	H(CC[5]C)	117.8050	0.000	1	117.8050	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){1|O<2>,2|C<3>,2|H<1>}	H(CC[5]C)	117.0730	0.000	1	117.0730	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	117.6380	0.000	1	117.6380	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	H(CC[5]C)	117.4900	0.000	1	117.4900	0.000	1	117.3781	0.312	11	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]C)	118.5970	0.000	1	118.5970	0.000	1	118.5970	0.000	1	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CCC)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CCC)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	116.8490	0.190	3	116.8490	0.036	3	117.7615	0.419	13	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]C)	118.1970	0.000	1	118.1970	0.000	1	117.7615	0.419	13	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	118.3982	0.260	4	118.3982	0.068	4	117.7615	0.419	13	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H){1|C<4>,5|C<3>}	H(CC[5]C)	117.8750	0.000	1	117.8750	0.000	1	117.7615	0.419	13	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<2>,2|O<1>}	H(CC[5]C)	117.3260	0.000	1	117.3260	0.000	1	117.7615	0.419	13	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	H(CC[5]C)	117.9680	0.000	1	117.9680	0.000	1	117.7615	0.419	13	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H){4|C<3>}	H(CC[5]C)	117.3860	0.000	1	117.3860	0.000	1	117.7615	0.419	13	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CHH)(H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	118.0080	0.000	1	118.0080	0.000	1	117.7615	0.419	13	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	116.4955	0.636	2	116.4955	0.404	2	117.0065	0.394	10	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]C)	117.2300	0.000	1	117.2300	0.000	1	117.0065	0.394	10	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	117.0570	0.715	5	117.0570	0.511	5	117.0065	0.394	10	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H){1|H<1>,5|C<3>}	H(CC[5]C)	116.8510	0.000	1	116.8510	0.000	1	117.0065	0.394	10	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H){3|C<3>}	H(CC[5]C)	117.7080	0.000	1	117.7080	0.000	1	117.0065	0.394	10	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C[5]-3:H-1:	B[5]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]B[5]C[5]H)(C[5]N[5]2)(H)	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[5]H)(H)	H(CC[5]2)	C(C[5]B[5]C[5]H)(C[5]N[5]2)(H)	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[5]H)(H){4|C<3>}	H(CC[5]2)	114.4960	0.000	1	114.4960	0.000	1	114.4960	0.000	1	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H)	H(CC[5]2)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]2)	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:1:	3:	C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H){1|H<1>,4|C<3>}	H(CC[6a]C[5])	116.5010	0.000	1	116.5010	0.000	1	116.5010	0.000	1	117.2796	0.827	40	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:2:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C-3:	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH){2|H<1>,4|C<3>}	H(CC[5]C)	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH){2|H<1>,3|C<4>,4|C<3>}	H(CC[5]C)	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	116.3950	0.409	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH){2|C<3>,6|H<1>}	H(CC[5]C)	116.7037	0.143	4	116.7037	0.020	4	116.4567	0.382	6	116.3950	0.409	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH){2|C<3>,6|H<1>}	H(CC[5]C)	115.2160	0.000	1	115.2160	0.000	1	116.4567	0.382	6	116.3950	0.409	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH){3|C<3>,5|H<1>}	H(CC[5]C)	116.7090	0.000	1	116.7090	0.000	1	116.4567	0.382	6	116.3950	0.409	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[6a]C[5]N[5])(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]N[5])(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH){2|H<1>,3|C<3>}	H(CC[5]C)	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	116.3950	0.409	8	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[5]C)	117.0030	0.000	1	117.0030	0.000	1	117.0030	0.000	1	116.9435	0.007	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	3:4:4:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH){1|S<4>,3|C<3>,3|H<1>}	H(CC[5]C)	116.8840	0.000	1	116.8840	0.000	1	116.8840	0.000	1	116.9435	0.007	2	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5,6]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]C)	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5,5]O[5]H)(CCH)(H)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]O[5]H)(CCH)(H)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(CC[5]C)	118.7760	0.000	1	118.7760	0.000	1	118.0930	0.896	8	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	118.0327	1.066	6	118.0327	1.136	6	118.0930	0.896	8	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5,5]O[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]O[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	H(CC[5]C)	117.7720	0.000	1	117.7720	0.000	1	118.0930	0.896	8	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6,6]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5,6,6]O[5]H)(CCC)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6,6]O[5]H)(CCC)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(CC[5]C)	116.5880	0.310	3	116.5880	0.096	3	116.5880	0.096	3	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]C)	117.1280	0.000	1	117.1280	0.000	1	117.4547	0.133	3	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5,6]O[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]O[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]C)	117.6180	0.327	2	117.6180	0.107	2	117.4547	0.133	3	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H){1|C<3>,2|H<1>}	H(CC[5]C)	117.1550	0.000	1	117.1550	0.000	1	117.1550	0.000	1	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|H<1>,3|C<4>}	H(CC[5]C)	116.0640	0.000	1	116.0640	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	H(CC[5]C)	116.8947	2.064	3	116.4565	3.327	6	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]C)	116.0183	1.866	3	116.4565	3.327	6	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){1|H<1>,3|C<4>}	H(CC[5]C)	116.4650	0.625	2	116.4650	0.391	2	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]C)	117.0900	0.000	1	117.0900	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H){2|C<3>}	H(CC[5]C)	117.3083	0.770	3	117.3083	0.592	3	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|O<2>,3|H<1>}	H(CC[5]C)	116.3890	0.000	1	116.3890	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H){1|O<1>,3|C<3>}	H(CC[5]C)	115.5430	0.000	1	115.5430	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>}	H(CC[5]C)	117.5730	0.000	1	116.2490	1.880	3	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	H(CC[5]C)	115.5870	1.063	2	116.2490	1.880	3	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H){2|C<4>}	H(CC[5]C)	119.0840	0.000	1	119.0840	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[3]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[3]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	H(CC[5]C)	116.9865	0.405	2	116.9865	0.164	2	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[5]C)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[5]C)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){2|C<4>,2|H<1>}	H(CC[5]C)	116.0670	0.000	1	116.0670	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H){1|C<3>}	H(CC[5]C)	118.5890	0.000	1	118.5890	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6]H)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6]H)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|C<4>,3|H<1>}	H(CC[5]C)	118.3200	0.000	1	118.3200	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H){1|O<1>,1|S<4>}	H(CC[5]C)	116.0230	0.000	1	116.0230	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	H(CC[5]C)	115.7480	0.000	1	115.7480	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	H(CC[5]C)	117.3630	0.000	1	117.3630	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|H<1>}	H(CC[5]C)	116.4940	0.000	1	116.4940	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){4|H<1>}	H(CC[5]C)	117.0450	0.000	1	117.0450	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	118.3880	0.000	1	118.3880	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	H(CC[5]C)	118.1550	0.000	1	118.1550	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]C)	117.6950	0.000	1	117.6950	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|O<2>,3|C<4>}	H(CC[5]C)	113.4380	0.000	1	113.4380	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){3|C<3>}	H(CC[5]C)	117.4365	1.162	2	117.4365	1.350	2	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]C)	115.6990	0.000	1	115.6990	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	H(CC[5]C)	117.8500	0.000	1	117.8500	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){2|C<3>}	H(CC[5]C)	118.1820	0.064	2	118.1820	0.004	2	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	118.6320	0.000	1	118.6320	0.000	1	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	H(CC[5]C)	118.2680	0.403	2	118.2680	0.162	2	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H){2|H<1>,2|O<2>}	H(CC[5]C)	116.2770	6.122	2	116.2770	37.480	2	116.9617	2.561	44	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	P[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	H(CC[5]C)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){1|C<4>,1|H<1>,6|C<3>}	H(CC[5]C)	118.9140	0.000	1	118.6470	0.143	2	118.6470	0.143	2	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C-3:H-1:	P[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	H(CC[5]C)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){7|C<3>}	H(CC[5]C)	118.3800	0.000	1	118.6470	0.143	2	118.6470	0.143	2	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(C[5]C[5]N[5])(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H)	H(CC[5]2)	C(C[5]C[5]O[5]H)(C[5]C[5]N[5])(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H){2|C<4>}	H(CC[5]2)	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(C[6]C[6]2)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H)	H(CC[5]C[6])	C(C[5]C[5]O[5]H)(C[6]C[6]2)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H){1|O<1>,2|C<3>}	H(CC[5]C[6])	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(NCO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H)	H(CC[5]N)	C(C[5]C[5]O[5]H)(NCO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H){2|C<4>}	H(CC[5]N)	120.3670	0.000	1	120.3670	0.000	1	120.6985	0.220	2	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:1:	3:	C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(NRuC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H)	H(CC[5]N)	C(C[5]C[5]O[5]H)(NRuC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H){4|H<1>}	H(CC[5]N)	121.0300	0.000	1	121.0300	0.000	1	120.6985	0.220	2	117.2384	2.544	66	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:2:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:O-2:	C-3:	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	H(CC[5]C)	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CC[5]C)	118.2760	0.000	1	118.2760	0.000	1	118.2760	0.000	1	118.2760	0.000	1	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:3:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	C-3:	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2	H(CC[5]C)	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2{3|C<4>,4|H<1>}	H(CC[5]C)	117.3235	0.445	2	117.3235	0.198	2	117.3235	0.198	2	117.3538	0.069	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C-3:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO){1|H<1>,3|C<3>}	H(CC[5]C)	117.3840	0.079	2	117.3840	0.006	2	117.3840	0.006	2	117.3538	0.069	4	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	H(CC[5]C)	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(CC[5]C)	117.3130	0.000	1	117.3130	0.000	1	116.9163	0.269	3	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH){1|H<1>,4|C<4>}	H(CC[5]C)	117.1060	0.000	1	117.1060	0.000	1	116.9163	0.269	3	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH){3|C<4>,4|H<1>}	H(CC[5]C)	116.3300	0.000	1	116.3300	0.000	1	116.9163	0.269	3	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH){1|C<3>,2|H<1>}	H(CC[5]C)	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH){1|O<1>,2|H<1>}	H(CC[5]C)	117.2330	0.000	1	117.2330	0.000	1	116.9165	0.130	6	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CC[6]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	117.3340	0.000	1	117.3340	0.000	1	116.9165	0.130	6	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH){1|C<4>,3|H<1>}	H(CC[5]C)	116.3650	0.000	1	116.3650	0.000	1	116.9165	0.130	6	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	116.8970	0.000	1	116.8970	0.000	1	116.9165	0.130	6	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH){1|C<4>,3|C<3>}	H(CC[5]C)	116.6660	0.000	1	116.6660	0.000	1	116.9165	0.130	6	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:2:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-3:	C(C[5]C[5]O[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH){1|C<3>,1|C<4>}	H(CC[5]C)	117.0040	0.000	1	117.0040	0.000	1	116.9165	0.130	6	116.9026	0.134	10	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,3x6]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,3x6]C[5]H)(CHH)(H)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,3x6]C[5]H)(CHH)(H)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]C)	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]N[5]H)(CCC)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]N[5]H)(CCC)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(CC[5]C)	117.6760	0.000	1	117.6760	0.000	1	118.1168	0.201	5	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[5]C)	118.4040	0.624	2	118.4040	0.389	2	118.1168	0.201	5	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(CC[5]C)	117.8960	0.000	1	117.8960	0.000	1	118.1168	0.201	5	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]N[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]N[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H){2|C<3>,4|H<1>}	H(CC[5]C)	118.2040	0.000	1	118.2040	0.000	1	118.1168	0.201	5	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]C)	119.9750	0.000	1	119.9750	0.000	1	117.1827	8.145	3	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CC[3]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CC[3]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]C)	114.2710	0.000	1	114.2710	0.000	1	117.1827	8.145	3	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]C)	117.3020	0.000	1	117.3020	0.000	1	117.1827	8.145	3	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CBrC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CBrC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	H(CC[5]C)	119.7320	0.000	1	119.7320	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CCH)(H){1|O<1>}	H(CC[5]C)	115.2030	0.000	1	115.2030	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	H(CC[5]C)	115.9990	0.000	1	115.9990	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(CCH)(H){1|C<3>,1|C<4>}	H(CC[5]C)	120.0365	0.146	2	120.0365	0.021	2	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	H(CC[5]C)	118.6757	0.996	10	118.6737	0.838	12	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){2|C<3>}	H(CC[5]C)	118.6635	0.545	2	118.6737	0.838	12	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]C)	119.4760	0.000	1	119.4760	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]S[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]S[5]C)(CCH)(H){1|C<3>,1|H<1>}	H(CC[5]C)	118.2310	0.000	1	118.2310	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H){1|H<1>,2|C<3>}	H(CC[5]C)	117.0520	0.000	1	117.0520	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	116.1730	0.000	1	113.4325	15.021	2	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	110.6920	0.000	1	113.4325	15.021	2	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H){1|Si<4>,1|C<4>,1|H<1>}	H(CC[5]C)	117.2500	0.000	1	117.2500	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H){1|O<1>,3|C<3>}	H(CC[5]C)	119.7780	0.000	1	119.7780	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H){1|N<2>,3|C<3>}	H(CC[5]C)	119.2400	0.000	1	119.2400	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	H(CC[5]C)	117.8900	0.000	1	117.8900	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	H(CC[5]C)	114.7850	0.000	1	117.0405	10.175	2	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,3|H<1>}	H(CC[5]C)	119.2960	0.000	1	117.0405	10.175	2	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>}	H(CC[5]C)	119.0325	0.237	6	119.0325	0.056	6	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	H(CC[5]C)	117.8660	0.000	1	117.8660	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[6a]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	H(CC[5]C)	119.5000	0.000	1	119.5000	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	H(CC[5]C)	116.7960	0.000	1	116.7960	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[6a]N)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]N)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H){1|C<4>,1|O<1>}	H(CC[5]C)	116.5720	0.000	1	116.5720	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[6a]N)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]N)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H){3|H<1>}	H(CC[5]C)	115.9160	0.000	1	115.9160	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	116.3350	0.000	1	116.8155	0.462	2	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>,2|S<4>}	H(CC[5]C)	117.2960	0.000	1	116.8155	0.462	2	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H){3|C<3>,3|H<1>}	H(CC[5]C)	118.0470	0.000	1	118.0470	0.000	1	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|O<1>,1|S<4>}	H(CC[5]C)	116.3500	0.465	2	116.7525	0.724	4	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	H(CC[5]C)	117.1550	1.144	2	116.7525	0.724	4	117.9236	3.181	46	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	115.6330	0.000	1	115.6330	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){2|C<4>}	H(CC[5]C)	116.0630	0.000	1	116.0630	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]C)	118.2805	0.180	2	118.2805	0.033	2	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]C)	116.5010	0.000	1	116.5010	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H){2|C<3>}	H(CC[5]C)	117.0050	0.000	1	117.0050	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	H(CC[5]C)	116.9450	0.000	1	116.9450	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]C)	113.1570	0.000	1	113.1570	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	H(CC[5]C)	118.3790	0.000	1	118.3790	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	H(CC[5]C)	119.4600	0.000	1	119.4600	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	H(CC[5]C)	116.6660	0.000	1	116.6660	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[3]H)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[3]H)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H){2|C<4>}	H(CC[5]C)	118.0180	0.000	1	118.0180	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	H(CC[5]C)	114.4807	0.134	3	114.4807	0.018	3	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[6]C)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6]C)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){2|C<4>}	H(CC[5]C)	115.6480	0.000	1	115.6480	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]C)	118.1000	0.000	1	118.1000	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H){1|C<3>}	H(CC[5]C)	117.3750	0.000	1	117.3750	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	H(CC[5]C)	118.0000	0.000	1	118.0000	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H){1|H<1>,3|C<3>}	H(CC[5]C)	118.0430	0.000	1	118.0430	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(CC[5]C)	118.8760	0.000	1	118.4723	0.187	3	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	H(CC[5]C)	118.0160	0.000	1	118.4723	0.187	3	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|H<1>,3|C<3>}	H(CC[5]C)	118.5250	0.000	1	118.4723	0.187	3	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H){5|C<3>}	H(CC[5]C)	117.0810	0.362	2	117.0810	0.131	2	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	H(CC[5]C)	117.8268	0.405	5	117.8268	0.164	5	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H){1|C<4>,2|O<1>}	H(CC[5]C)	116.8560	0.000	1	116.8560	0.000	1	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){1|O<1>}	H(CC[5]C)	118.2237	0.239	3	118.2237	0.057	3	117.2128	2.082	34	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:O-1:	C-3:	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O)	H(CC[5]C)	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O){1|O<1>,2|H<1>}	H(CC[5]C)	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C-3:H-1:	P[5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]P[5]H)(CCH)(H)	C[5](P[5]C[5]CW)(C[5]C[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]P[5]H)(CCH)(H)	C[5](P[5]C[5]CW)(C[5]C[5]H)(CCH)(H){1|C<3>,2|H<1>}	H(CC[5]C)	111.9445	0.151	2	111.9445	0.023	2	111.9445	0.023	2	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(C[5]C[5]N[5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[5]H)(H)	H(CC[5]2)	C(C[5]C[5,5]C[5]H)(C[5]C[5]N[5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[5]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5]2)	117.4360	0.000	1	117.4360	0.000	1	117.4360	0.000	1	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H)	H(CC[5]N)	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H){2|C<4>}	H(CC[5]N)	120.7850	0.000	1	120.7850	0.000	1	120.2483	0.285	3	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:1:	3:	C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H)	H(CC[5]N)	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H){2|C<4>}	H(CC[5]N)	119.9800	0.371	2	119.9800	0.137	2	120.2483	0.285	3	117.6035	3.443	96	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:2:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C-3:	C(C[5]C[5]2O)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5]2O)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH){1|C<3>,1|H<1>}	H(CC[5]C)	117.2970	0.000	1	117.2970	0.000	1	116.9845	0.195	2	117.3330	0.462	3	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:2:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C-3:	C(C[5]C[5]2O)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC)	H(CC[5]C)	C(C[5]C[5]2O)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC){1|O<1>,1|O<2>}	H(CC[5]C)	116.6720	0.000	1	116.6720	0.000	1	116.9845	0.195	2	117.3330	0.462	3	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:2:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:O-2:	C-3:	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC)	H(CC[5]C)	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC){1|O<1>}	H(CC[5]C)	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	117.3330	0.462	3	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C-3:	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO)	H(CC[5]C)	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO){1|C<3>,2|H<1>}	H(CC[5]C)	116.5920	0.000	1	116.5920	0.000	1	116.5920	0.000	1	116.1190	3.236	3	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:N-3:	C-3:	C(C[5]C[5]2N)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN)	H(CC[5]C)	C(C[5]C[5]2N)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN){4|H<1>}	H(CC[5]C)	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	116.1190	3.236	3	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>,5|C<3>}	H(CC[5]C)	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	116.1190	3.236	3	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:4:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-3:	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3)	H(CC[5]2)	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]2)	114.1533	0.358	3	114.1533	0.128	3	114.5383	0.379	7	114.5383	0.379	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:4:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-3:	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3)	H(CC[5]2)	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	H(CC[5]2)	114.1980	0.000	1	114.1980	0.000	1	114.5383	0.379	7	114.5383	0.379	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:4:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-3:	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	H(CC[5]2)	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,1|O<1>}	H(CC[5]2)	115.3700	0.216	2	115.0367	0.357	3	114.5383	0.379	7	114.5383	0.379	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:3:4:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-3:	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	H(CC[5]2)	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	H(CC[5]2)	114.3700	0.000	1	115.0367	0.357	3	114.5383	0.379	7	114.5383	0.379	7	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]C)	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	115.0651	7.668	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(CC[5]C)	116.9685	0.176	2	116.4147	0.936	3	116.4147	0.936	3	115.0651	7.668	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){2|O<2>,3|C<3>,4|H<1>}	H(CC[5]C)	115.3070	0.000	1	116.4147	0.936	3	116.4147	0.936	3	115.0651	7.668	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH)	H(CC[5]C)	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH){4|H<1>}	H(CC[5]C)	116.8710	0.000	1	116.8710	0.000	1	117.0175	0.043	2	115.0651	7.668	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	117.1640	0.000	1	117.1640	0.000	1	117.0175	0.043	2	115.0651	7.668	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(CC[5a]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CC[5a]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH){1|O<1>,2|H<1>}	H(CC[5]C)	114.2850	0.000	1	114.2850	0.000	1	112.9593	15.182	3	115.0651	7.668	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH){4|H<1>}	H(CC[5]C)	116.0200	0.000	1	116.0200	0.000	1	112.9593	15.182	3	115.0651	7.668	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:3:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-3:	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(CCH){1|O<1>,2|H<1>}	H(CC[5]C)	108.5730	0.000	1	108.5730	0.000	1	112.9593	15.182	3	115.0651	7.668	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[3,5]C[5]H)(CCH)(H)	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[3,5]C[5]H)(CCH)(H)	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,3|H<1>}	H(CC[5]C)	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[3x5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[3x5]C[5]H)(CHH)(H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[3x5]C[5]H)(CHH)(H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	H(CC[5]C)	117.7610	0.000	1	117.8060	0.004	2	117.8060	0.004	2	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[3x5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[3x5]C[5]H)(CHH)(H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[3x5]C[5]H)(CHH)(H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){2|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(CC[5]C)	117.8510	0.000	1	117.8060	0.004	2	117.8060	0.004	2	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5,6]C[5]H)(CCC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5,6]C[5]H)(CCC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[5]C)	115.9700	0.000	1	115.9700	0.000	1	115.9700	0.000	1	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]C)	116.6310	0.000	1	116.6310	0.000	1	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]C)	116.3290	0.000	1	117.2740	1.786	2	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]C)	118.2190	0.000	1	117.2740	1.786	2	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(CC[5]C)	117.3890	0.000	1	117.3890	0.000	1	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(CC[5]C)	117.1360	0.000	1	117.1360	0.000	1	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]C)	117.9970	0.000	1	117.9970	0.000	1	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]C)	117.1000	0.000	1	117.1000	0.000	1	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	H(CC[5]C)	115.5560	0.000	1	115.5560	0.000	1	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	H(CC[5]C)	118.2862	0.262	4	118.2722	0.059	6	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,4|C<3>}	H(CC[5]C)	118.2440	0.297	2	118.2722	0.059	6	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(CC[5]C)	118.5777	0.257	3	118.5777	0.066	3	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	H(CC[5]C)	116.6290	0.426	4	116.5700	0.153	5	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|N<2>,2|H<1>,5|C<3>}	H(CC[5]C)	116.3340	0.000	1	116.5700	0.153	5	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(CC[5]C)	117.4595	0.120	2	117.4595	0.014	2	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>,3|C<3>}	H(CC[5]C)	117.5295	0.367	2	117.5295	0.135	2	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H){2|C<3>,2|O<1>}	H(CC[5]C)	116.6260	0.000	1	116.6260	0.000	1	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]C)	117.0090	0.000	1	117.0090	0.000	1	117.4352	0.757	28	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-1:	C-3:	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O)	H(CC[5]C)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O){2|C<3>,3|C<4>}	H(CC[5]C)	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6,6]C[5]H)(CCH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(CC[5]C)	119.3840	0.072	2	119.3840	0.005	2	118.3970	1.320	4	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6,6]C[5]H)(CHH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6,6]C[5]H)(CHH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(CC[5]C)	117.4100	0.239	2	117.4100	0.057	2	118.3970	1.320	4	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]C)	116.5320	0.000	1	116.5320	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]C)	116.5760	0.310	2	116.5760	0.096	2	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5]C)	117.3710	0.000	1	117.3710	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[5]C)	117.8570	0.000	1	117.8570	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]C)	115.3180	0.000	2	115.3180	0.000	2	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H){1|O<1>,5|C<3>}	H(CC[5]C)	117.7530	0.000	1	117.7530	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]C)	118.1300	0.000	1	118.1300	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	H(CC[5]C)	117.2495	0.834	2	117.2495	0.695	2	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H){2|C<4>,5|H<1>}	H(CC[5]C)	117.5560	0.000	1	117.5560	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]C)	118.3235	0.139	2	118.3235	0.019	2	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]C)	115.6830	1.035	2	115.6830	1.072	2	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]C)	116.5360	0.052	2	116.5360	0.003	2	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(CC[5]C)	117.3945	0.291	2	117.3945	0.084	2	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H){2|C<4>,5|H<1>}	H(CC[5]C)	117.5260	0.000	1	117.5260	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H){3|H<1>,5|C<3>}	H(CC[5]C)	115.6465	0.523	2	115.6465	0.273	2	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H){3|C<3>,3|H<1>}	H(CC[5]C)	116.8450	0.000	1	116.8450	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5]C)	113.1850	0.000	1	113.1850	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]C)	117.7230	0.000	1	117.7230	0.000	1	116.7666	1.479	26	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|O<1>,1|S<4>}	H(CC[5]C)	115.7840	0.000	1	115.7840	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H){1|C<4>,1|H<1>}	H(CC[5]C)	116.2550	0.000	1	116.2550	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	H(CC[5]C)	116.6030	0.656	11	116.6030	0.430	11	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,2|H<1>}	H(CC[5]C)	116.7340	0.000	1	116.7340	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,3|H<1>}	H(CC[5]C)	119.0110	0.006	4	118.1798	1.757	6	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>}	H(CC[5]C)	116.5175	0.704	2	118.1798	1.757	6	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	H(CC[5]C)	117.4990	0.000	1	117.0625	0.381	2	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,2|C<3>}	H(CC[5]C)	116.6260	0.000	1	117.0625	0.381	2	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H){1|O<2>,3|H<1>}	H(CC[5]C)	117.3180	0.000	1	117.3180	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	H(CC[5]C)	117.7577	3.412	3	117.7577	11.645	3	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	H(CC[5]C)	116.9510	0.000	1	116.9510	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	117.5520	0.000	1	117.5520	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H){1|S<4>,2|C<4>,3|H<1>}	H(CC[5]C)	117.2060	0.000	1	117.2060	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	118.5330	0.000	1	118.8145	0.158	2	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]C)	119.0960	0.000	1	118.8145	0.158	2	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){1|C<4>,3|H<1>}	H(CC[5]C)	117.4790	0.243	2	117.5437	0.042	3	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){2|C<4>,2|H<1>}	H(CC[5]C)	117.6730	0.000	1	117.5437	0.042	3	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H){4|H<1>}	H(CC[5]C)	118.0190	0.000	1	118.0190	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)2(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]H)(H)	C[5](C[5]C[5]HH)2(CCH)(H){1|C<3>,2|H<1>}	H(CC[5]C)	114.7340	0.000	1	114.7340	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CFF)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CFF)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<2>}	H(CC[5]C)	117.8740	0.000	1	117.8740	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	116.3480	0.000	1	116.3480	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]C)	117.4950	0.000	1	117.4950	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]C)	117.9730	0.075	2	115.7403	7.447	4	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,3|C<3>}	H(CC[5]C)	113.5075	1.548	2	115.7403	7.447	4	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H){1|H<1>,3|C<3>}	H(CC[5]C)	116.9430	0.000	1	116.9430	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H){1|H<1>,3|C<3>}	H(CC[5]C)	114.6463	1.856	3	114.6463	3.444	3	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(CC[5]C)	118.0230	0.437	2	117.0240	1.400	4	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>}	H(CC[5]C)	116.0250	0.133	2	117.0240	1.400	4	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<2>,1|H<1>,2|C<3>}	H(CC[5]C)	117.8105	0.230	2	117.6292	0.099	9	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(CC[5]C)	117.7687	0.359	3	117.6292	0.099	9	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,3|C<3>}	H(CC[5]C)	117.4065	0.223	2	117.6292	0.099	9	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	117.1820	0.000	1	117.6292	0.099	9	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){4|H<1>}	H(CC[5]C)	117.7410	0.000	1	117.6292	0.099	9	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<1>}	H(CC[5]C)	115.9530	0.000	1	117.5360	0.681	6	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	H(CC[5]C)	117.8526	0.316	5	117.5360	0.681	6	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>}	H(CC[5]C)	117.2750	0.741	2	117.2750	0.549	2	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	H(CC[5]C)	117.9230	0.000	1	117.9230	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H){4|H<1>}	H(CC[5]C)	116.1400	0.000	1	116.1400	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(CC[5]C)	117.8520	0.000	1	117.8520	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<2>,2|C<2>,2|C<3>}	H(CC[5]C)	117.4700	0.058	2	117.4700	0.003	2	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|O<2>,1|S<4>}	H(CC[5]C)	117.3660	0.000	1	117.3660	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	H(CC[5]C)	117.2045	2.621	2	117.2045	6.871	2	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)2(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]C[5]HH)2(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	115.2625	1.790	4	115.2625	3.205	4	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H){2|H<1>,4|C<3>}	H(CC[5]C)	116.9940	0.000	1	116.9940	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	117.7050	0.000	1	117.7050	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	117.9260	0.000	1	117.9260	0.000	1	117.0399	2.022	83	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(CC[5]C)	115.2210	0.000	1	115.2210	0.000	1	115.2210	0.000	1	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]Si[5]C[5]H)(CCC)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H)	H(CC[5]C)	C(C[5]Si[5]C[5]H)(CCC)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]C)	116.6244	0.749	5	116.6244	0.561	5	116.5399	0.538	8	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H)	H(CC[5]C)	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H){1|C<3>,1|H<1>}	H(CC[5]C)	115.4500	0.000	1	115.4500	0.000	1	116.5399	0.538	8	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H)	H(CC[5]C)	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H){1|C<3>,1|H<1>}	H(CC[5]C)	117.0650	0.000	1	117.0650	0.000	1	116.5399	0.538	8	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	H(CC[5]C)	C(C[5]Si[5]C[5]H)(CHH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	H(CC[5]C)	116.6820	0.000	1	116.6820	0.000	1	116.5399	0.538	8	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:1:	3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]H)(H)	H(CC[5]2)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]2)	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	117.0221	1.807	156	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:2:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C-3:	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(CC[5]C)	116.8760	0.000	1	116.9275	0.005	2	117.4423	0.798	3	116.7215	2.770	6	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:2:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C-3:	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|C<4>,4|H<1>}	H(CC[5]C)	116.9790	0.000	1	116.9275	0.005	2	117.4423	0.798	3	116.7215	2.770	6	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:2:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C-3:	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|H<1>,3|C<3>}	H(CC[5]C)	118.4720	0.000	1	118.4720	0.000	1	117.4423	0.798	3	116.7215	2.770	6	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:2:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C-3:	C(C[5]C[5,6]C[5]O)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5,6]C[5]O)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH){2|C<4>,5|H<1>}	H(CC[5]C)	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	116.7215	2.770	6	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:2:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:	C(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH){4|H<1>}	H(CC[5]C)	118.1330	0.000	1	118.1330	0.000	1	117.0720	2.251	2	116.7215	2.770	6	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:2:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:	C(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH)	H(CC[5]C)	C(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH){4|H<1>}	H(CC[5]C)	116.0110	0.000	1	116.0110	0.000	1	117.0720	2.251	2	116.7215	2.770	6	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C-3:	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO)	H(CC[5]C)	C(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO){1|H<1>,1|S<4>,3|C<3>}	H(CC[5]C)	114.3900	0.000	1	114.3900	0.000	1	116.5970	9.742	2	116.3933	1.400	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C-3:	C(C[5]C[5]2C)(CC[5]H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2C)(CC[5]H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH){1|S<4>,2|H<1>}	H(CC[5]C)	118.8040	0.000	1	118.8040	0.000	1	116.5970	9.742	2	116.3933	1.400	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:C-3:C-3:	C-3:	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO){1|C<3>,3|H<1>}	H(CC[5]C)	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	116.3933	1.400	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:3:	3:	C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C-3:	C(C[5]C[5]2C)(NC[6a]Ni)(H)	C[5](C[5]C[5]HH)2(CHN)2	H(CC[5]N)	C(C[5]C[5]2C)(NC[6a]Ni)(H)	C[5](C[5]C[5]HH)2(CHN)2{4|H<1>}	H(CC[5]N)	116.3815	0.095	2	116.3815	0.009	2	116.5075	0.020	6	116.3933	1.400	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:3:3:	3:	C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C-3:	C(C[5]C[5]2C)(NC[6a]Pd)(H)	C[5](C[5]C[5]HH)2(CHN)2	H(CC[5]N)	C(C[5]C[5]2C)(NC[6a]Pd)(H)	C[5](C[5]C[5]HH)2(CHN)2{4|H<1>}	H(CC[5]N)	116.5705	0.123	4	116.5705	0.015	4	116.5075	0.020	6	116.3933	1.400	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:4:3:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]C)	115.7040	0.000	1	115.7040	0.000	1	116.4030	1.214	3	116.2306	2.021	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:4:3:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH){2|C<3>,2|O<1>}	H(CC[5]C)	117.6730	0.000	1	116.7525	1.695	2	116.4030	1.214	3	116.2306	2.021	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:4:3:	3:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5]C)(CHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH){2|C<4>,2|O<1>}	H(CC[5]C)	115.8320	0.000	1	116.7525	1.695	2	116.4030	1.214	3	116.2306	2.021	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:4:3:	3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5,6]C[5]C)(CCH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5]C)(CCH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]C)	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	116.2306	2.021	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5]2C)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]2C)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH){2|H<1>}	H(CC[5]C)	115.6830	0.000	1	115.6830	0.000	1	116.7780	0.391	5	116.2306	2.021	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]C)	117.1013	0.131	3	117.1013	0.017	3	116.7780	0.391	5	116.2306	2.021	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:3:1:	4:4:4:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-3:	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]N[5]HH)(CH3)(CCH)	H(CC[5]C)	C(C[5]C[5]2C)(CHH)(H)	C[5](C[5]C[5]CN)(C[5]N[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]C)	116.9030	0.000	1	116.9030	0.000	1	116.7780	0.391	5	116.2306	2.021	9	116.7500	6.535	579	116.6237	6.891	673
930	474	951	0:SP2_SP-NON_SP3	C	C[5]	H	4:4:1:	4:4:3:1:	3:	C[5]-4:C-4:H-1:	P[5]-4:C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]P[5]H)(CCHH)(H)	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]P[5]H)(CCHH)(H)	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	H(CC[5]C)	120.5590	0.000	1	120.5590	0.000	1	120.5590	0.000	1	120.5590	0.000	1	116.7500	6.535	579	116.6237	6.891	673