930	2	727	0:SP2_SP2_SP2	C	B[5]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a]-3:C[5]-3:B[5]-3:	C-3:O[5]-2:O[5]-2:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(B[5]O[5]2)	B[5](CC[5a]C[5])(O[5]C[5])2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CB[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(B[5]O[5]2)	B[5](CC[5a]C[5])(O[5]C[5])2{4|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CB[5]C[5]){1|C<3>,1|H<1>}	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1
930	2	762	0:SP2_SP2_SP2	C	B[5]	C[6]	3:3:1:	2:2:3:	4:3:3:	B[5]-3:C[6]-3:H-1:	O[5]-2:O[5]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(B[5]O[5]2)(C[6]C[6]2)(H)	B[5](O[5]C[5])2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H)	C(B[5]O[5]2)(C[6]C[6]2)(H)	B[5](O[5]C[5])2(CC[6]H){4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H){1|C<4>,4|H<1>}	129.5200	0.000	1	129.5200	0.000	1	129.5200	0.000	1	129.5200	0.000	1	130.2570	1.086	2	130.2570	1.086	2
930	2	762	0:SP2_SP2_SP2	C	B[5]	C[6]	3:3:1:	3:3:3:	4:3:3:	B[5]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(B[5]N[5]2)(C[6]C[6]2)(H)	B[5](N[5]C[5]C)2(CC[6]H)	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H)	C(B[5]N[5]2)(C[6]C[6]2)(H)	B[5](N[5]C[5]C)2(CC[6]H){4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H){1|C<3>,1|C<4>,2|H<1>}	130.9940	0.000	1	130.9940	0.000	1	130.9940	0.000	1	130.9940	0.000	1	130.2570	1.086	2	130.2570	1.086	2
930	2	818	0:SP2_SP2_SP2	C	B[5]	C[5]	3:3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5]-3:B[5]-3:	C-3:O[5]-2:O[5]-2:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(B[5]O[5]2)	B[5](CC[5a]C[5])(O[5]C[5])2	C[5](CC[5a]B[5])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(B[5]O[5]2)	B[5](CC[5a]C[5])(O[5]C[5])2{4|C<4>}	C[5](CC[5a]B[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	118.2730	0.000	1	118.2730	0.000	1	118.2730	0.000	1	118.2730	0.000	1	123.0976	6.550	8	123.0976	6.550	8
930	2	818	0:SP2_SP2_SP2	C	B[5]	C[5]	3:3:3:	3:2:2:	4:4:3:	C[6a]-3:B[5]-3:C[5]-3:	C-3:O[5]-2:O[5]-2:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	B[5](CC[6a]C[5])(O[5]C[5])2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]B[5])	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	B[5](CC[6a]C[5])(O[5]C[5])2{4|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]B[5]){2|C<3>,2|H<1>}	121.4630	0.000	1	121.4630	0.000	1	122.9095	1.384	4	122.9095	1.384	4	123.0976	6.550	8	123.0976	6.550	8
930	2	818	0:SP2_SP2_SP2	C	B[5]	C[5]	3:3:3:	3:2:2:	4:4:3:	C[6a]-3:B[5]-3:C[5]-3:	C-3:O[5]-2:O[5]-2:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	B[5](CC[6a]C[5])(O[5]C[5])2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]B[5])	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	B[5](CC[6a]C[5])(O[5]C[5])2{4|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]B[5]){1|S<4>,2|H<1>}	122.4410	0.000	1	122.4410	0.000	1	122.9095	1.384	4	122.9095	1.384	4	123.0976	6.550	8	123.0976	6.550	8
930	2	818	0:SP2_SP2_SP2	C	B[5]	C[5]	3:3:3:	3:2:2:	4:4:3:	C[6a]-3:B[5]-3:C[5]-3:	C-3:O[5]-2:O[5]-2:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	B[5](CC[6a]C[5])(O[5]C[5])2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5])	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	B[5](CC[6a]C[5])(O[5]C[5])2{4|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5]){2|H<1>}	123.8670	0.088	2	123.8670	0.008	2	122.9095	1.384	4	122.9095	1.384	4	123.0976	6.550	8	123.0976	6.550	8
930	2	818	0:SP2_SP2_SP2	C	B[5]	C[5]	3:3:4:	2:2:3:	4:4:3:	B[5]-3:C[5]-3:C-4:	O[5]-2:O[5]-2:C-3:	C[5]-4:C[5]-4:C-3:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)	B[5](O[5]C[5])2(CC[5]C)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C)	C(B[5]O[5]2)(C[5]C[5]2)(CH3)	B[5](O[5]C[5])2(CC[5]C){4|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C){1|S<4>,2|H<1>}	127.2480	0.000	1	127.2480	0.000	1	124.9567	3.956	3	124.9567	3.956	3	123.0976	6.550	8	123.0976	6.550	8
930	2	818	0:SP2_SP2_SP2	C	B[5]	C[5]	3:3:4:	2:2:3:	4:4:3:	B[5]-3:C[5]-3:C-4:	O[5]-2:O[5]-2:C-3:	C[5]-4:C[5]-4:C-3:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)	B[5](O[5]C[5])2(CC[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CB[5]C)	C(B[5]O[5]2)(C[5]C[5]2)(CH3)	B[5](O[5]C[5])2(CC[5]C){4|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CB[5]C){2|H<1>,2|S<4>}	123.9470	0.000	1	123.9470	0.000	1	124.9567	3.956	3	124.9567	3.956	3	123.0976	6.550	8	123.0976	6.550	8
930	2	818	0:SP2_SP2_SP2	C	B[5]	C[5]	3:3:4:	2:2:3:	4:4:3:	B[5]-3:C[5]-3:C-4:	O[5]-2:O[5]-2:C-3:	C[5]-4:C[5]-4:C-3:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)	B[5](O[5]C[5])2(CC[5]C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CB[5]C)	C(B[5]O[5]2)(C[5]C[5]2)(CH3)	B[5](O[5]C[5])2(CC[5]C){4|C<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CB[5]C){1|S<4>,2|C<3>,2|H<1>}	123.6750	0.000	1	123.6750	0.000	1	124.9567	3.956	3	124.9567	3.956	3	123.0976	6.550	8	123.0976	6.550	8
930	2	863	0:SP2_SP2_SP2	C	B[5]	O	3:3:1:	3:3:3:	3:	C[6a]-3:B[5]-3:O-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(B[5]N[5]2)(O)	B[5](N[5]C[6a]C[5])2(CC[6a]O)	O(CC[6a]B[5])	C(C[6a]C[6a]2)(B[5]N[5]2)(O)	B[5](N[5]C[6a]C[5])2(CC[6a]O){4|C<3>,4|H<1>}	O(CC[6a]B[5])	118.7720	0.000	2	118.7720	0.000	2	118.7720	0.000	2	118.7720	0.000	2	118.7720	0.000	2	118.7720	0.000	2
930	2	880	0:SP2_SP2_SP3	C	B[5]	Si	3:3:4:	2:2:3:	3:4:4:4:	B[5]-3:C-3:Si-4:	O[5]-2:O[5]-2:C-3:	C-3:C-4:C-4:C-4:	C(B[5]O[5]2)(CC[6a]H)(SiC3)	B[5](O[5]C[5])2(CSiC)	Si(CB[5]C)(CH3)3	C(B[5]O[5]2)(CC[6a]H)(SiC3)	B[5](O[5]C[5])2(CSiC){4|C<4>}	Si(CB[5]C)(CH3)3	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1
930	2	899	0:SP2_SP-NON_SP2	C	B[5]	C	4:3:1:	2:2:3:	3:	C-4:B[5]-3:C-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(CC[6a]B[5]C)(B[5]O[5]2)(C)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)	C(CC[6a]B[5]C)(B[5]O[5]2)(C)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)	119.2560	0.007	2	119.2560	0.000	2	119.2560	0.000	2	119.2560	0.000	2	119.2560	0.000	2	119.2560	0.000	2
930	2	909	0:SP2_SP2_SP2	C	B[5]	S	3:3:2:	2:2:3:	3:3:	B[5]-3:C-3:S-2:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:	C(B[5]O[5]2)(CC[6a]H)(SC[6a])	B[5](O[5]C[5])2(CCS)	S(C[6a]C[6a]2)(CB[5]C)	C(B[5]O[5]2)(CC[6a]H)(SC[6a])	B[5](O[5]C[5])2(CCS){4|C<4>}	S(C[6a]C[6a]2)(CB[5]C)	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1
930	2	924	0:SP2_SP-NON_SP2	C	B[5]	Br	3:3:1:	2:2:3:	3:	B[5]-3:C-3:Br-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(CCH)(Br)	B[5](O[5]C[5])2(CBrC)	Br(CB[5]C)	C(B[5]O[5]2)(CCH)(Br)	B[5](O[5]C[5])2(CBrC){4|C<4>}	Br(CB[5]C)	116.3780	0.000	1	116.3780	0.000	1	116.3780	0.000	1	116.3780	0.000	1	116.3780	0.000	1	116.3780	0.000	1
930	2	927	0:SP2_SP2_SP2	C	B[5]	B[6a]	3:3:3:	2:2:3:	3:3:3:	B[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	N[6a]-3:N[6a]-3:C-3:	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CB[6a]C)	B[6a](N[6a]C[6a,6a]H)2(CB[5]C)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CB[6a]C){4|C<4>}	B[6a](N[6a]C[6a,6a]H)2(CB[5]C){3|C<3>}	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	2:2:3:	3:3:1:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-3:C-3:H-1:	C(B[5]O[5]2)(CCH)(H)	B[5](O[5]C[5])2(CCH)	C(CB[5]H)(CCH)(H)	C(B[5]O[5]2)(CCH)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	C(CB[5]H)(CCH)(H)	127.9070	0.004	2	127.9070	0.000	2	127.9070	0.000	2	125.2348	14.802	5	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	2:2:3:	3:3:1:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	N[5a]-3:C-3:H-1:	C(B[5]O[5]2)(CN[5a]H)(H)	B[5](O[5]C[5])2(CCH)	C(N[5a]C[5a,6a]2)(CB[5]H)(H)	C(B[5]O[5]2)(CN[5a]H)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	C(N[5a]C[5a,6a]2)(CB[5]H)(H)	123.4533	4.208	3	123.4533	17.704	3	123.4533	17.704	3	125.2348	14.802	5	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	2:2:3:	3:3:3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C[6a]-3:B-3:C-3:	C(B[5]O[5]2)(CC[6a]B)(H)	B[5](O[5]C[5])2(CCH)	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C(B[5]O[5]2)(CC[6a]B)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	128.7050	0.554	4	128.7050	0.306	4	128.7050	0.306	4	129.1574	1.253	5	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	2:2:3:	3:3:3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5]O[5]2)(CC[6a]2)(H)	B[5](O[5]C[5])2(CCH)	C(C[6a]C[6a]2)2(CB[5]H)	C(B[5]O[5]2)(CC[6a]2)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	C(C[6a]C[6a]2)2(CB[5]H)	130.9670	0.000	1	130.9670	0.000	1	130.9670	0.000	1	129.1574	1.253	5	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	2:2:3:	3:4:1:	B[5]-3:C-3:Br-1:	O[5]-2:O[5]-2:C-3:	C-3:C-4:H-1:	C(B[5]O[5]2)(CCH)(Br)	B[5](O[5]C[5])2(CBrC)	C(CB[5]Br)(CCHH)(H)	C(B[5]O[5]2)(CCH)(Br)	B[5](O[5]C[5])2(CBrC){4|C<4>}	C(CB[5]Br)(CCHH)(H)	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	2:2:3:	4:3:1:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C[3,6]-4:C-3:H-1:	C(B[5]O[5]2)(CC[3,6]H)(H)	B[5](O[5]C[5])2(CCH)	C(C[3,6]C[3,6]C[6]O[3])(CB[5]H)(H)	C(B[5]O[5]2)(CC[3,6]H)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(CB[5]H)(H)	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	2:2:3:	4:3:3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-4:C-3:C-3:	C(B[5]O[5]2)(CCC)(H)	B[5](O[5]C[5])2(CCH)	C(CC[6a]HH)(CB[5]H)(CCC)	C(B[5]O[5]2)(CCC)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	C(CC[6a]HH)(CB[5]H)(CCC)	127.0430	0.000	2	127.0430	0.000	2	126.1340	2.479	3	126.1340	2.479	3	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	2:2:3:	4:3:3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-4:C-3:C-3:	C(B[5]O[5]2)(CCC)(H)	B[5](O[5]C[5])2(CCH)	C(CC[6a]HO)(CB[5]H)(CCC)	C(B[5]O[5]2)(CCC)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	C(CC[6a]HO)(CB[5]H)(CCC)	124.3160	0.000	1	124.3160	0.000	1	126.1340	2.479	3	126.1340	2.479	3	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:1:	3:3:3:	3:4:1:	B[5]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:C-4:H-1:	C(B[5]C[5,6a]2)(CCH)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C(CB[5]H)(CC3)(H)	C(B[5]C[5,6a]2)(CCH)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	C(CB[5]H)(CC3)(H)	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:2:	2:2:3:	3:3:1:	B[5]-3:C-3:S-2:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(B[5]O[5]2)(CC[6a]H)(SC[6a])	B[5](O[5]C[5])2(CCS)	C(C[6a]C[6a]2)(CB[5]S)(H)	C(B[5]O[5]2)(CC[6a]H)(SC[6a])	B[5](O[5]C[5])2(CCS){4|C<4>}	C(C[6a]C[6a]2)(CB[5]S)(H)	119.2800	0.000	1	119.2800	0.000	1	119.2800	0.000	1	119.2800	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:2:	2:2:3:	3:3:4:	B[5]-3:C-3:C-2:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:C-4:	C(B[5]O[5]2)(CC[6a]C)(CC[6a])	B[5](O[5]C[5])2(CCC)	C(C[6a]C[6a]2)(CB[5]C)(CC3)	C(B[5]O[5]2)(CC[6a]C)(CC[6a])	B[5](O[5]C[5])2(CCC){4|C<4>}	C(C[6a]C[6a]2)(CB[5]C)(CC3)	121.4920	0.000	1	121.4920	0.000	1	121.4920	0.000	1	121.4920	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:2:1:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CHS)	B[5](O[5]C[5])2(CC[6a]C)	C(CC[6a]B[5])(SC)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CHS)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(CC[6a]B[5])(SC)(H)	116.7030	0.000	1	116.7030	0.000	1	116.7030	0.000	1	116.7030	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C-3:B-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	B[5](O[5]C[5])2(CC[6a]C)	C(CC[6a]B[5])(BC[6a]2)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(CC[6a]B[5])(BC[6a]2)(H)	118.3162	1.592	6	118.3162	2.534	6	118.3162	2.534	6	118.4843	2.753	13	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CC[6a]C)	C(CC[6a]B[5])(COO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(CC[6a]B[5])(COO)(H)	120.4470	0.000	1	120.4470	0.000	1	120.4470	0.000	1	118.4843	2.753	13	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Br)	B[5](O[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(Br)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Br)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(C[6a]C[6a]2)(CC[6a]B[5])(Br)	121.7650	0.000	1	121.7650	0.000	1	121.7650	0.000	1	118.4843	2.753	13	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	B[5](O[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	117.6374	0.707	5	117.6374	0.500	5	117.6374	0.500	5	118.4843	2.753	13	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:3:3:	B[5]-3:C-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:C-3:	C(B[5]O[5]2)(CC[6a]Te)(CC[6a]C)	B[5](O[5]C[5])2(CCC)	C(C[6a]C[6a]2)(CB[5]Te)(CB[5]C)	C(B[5]O[5]2)(CC[6a]Te)(CC[6a]C)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(C[6a]C[6a]2)(CB[5]Te)(CB[5]C)	120.0270	0.000	1	120.0270	0.000	1	120.0270	0.000	1	120.3702	7.029	4	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:3:3:	C-3:C[6a]-3:B[5]-3:	O[5]-2:O[5]-2:C-3:	B[5a]-3:C[6a]-3:C-3:	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	B[5](O[5]C[5])2(CC[6a]C)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	118.0050	0.000	1	118.0050	0.000	1	118.0050	0.000	1	120.3702	7.029	4	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C-3:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:B[5]-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	B[5](O[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	121.7245	3.422	2	121.7245	11.708	2	121.7245	11.708	2	120.3702	7.029	4	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:3:4:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	B[5](O[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(SiC[6a]CC)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(C[6a]C[6a]2)(CC[6a]B[5])(SiC[6a]CC)	123.0003	0.997	3	123.0003	0.993	3	123.0003	0.993	3	123.0003	0.993	3	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:4:1:	B[5]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C-3:C-4:H-1:	C(B[5]O[5]2)2(CCH)	B[5](O[5]C[5])2(CB[5]C)	C(CB[5]2)(CCHH)(H)	C(B[5]O[5]2)2(CCH)	B[5](O[5]C[5])2(CB[5]C){4|C<4>}	C(CB[5]2)(CCHH)(H)	121.6780	1.960	2	121.6780	3.842	2	121.6780	3.842	2	120.2992	9.581	5	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:4:1:	B[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C-3:C-4:H-1:	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CB[6a]C)	C(CB[6a]B[5])(CCHH)(H)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CB[6a]C){4|C<4>}	C(CB[6a]B[5])(CCHH)(H)	123.6720	0.000	1	123.6720	0.000	1	123.6720	0.000	1	120.2992	9.581	5	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:4:1:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CC[6a]C)	C(CC[6a]B[5])(CC3)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(CC[6a]B[5])(CC3)(H)	117.2340	0.717	2	117.2340	0.514	2	117.2340	0.514	2	120.2992	9.581	5	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:3:	2:2:3:	3:4:4:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCC)	B[5](O[5]C[5])2(CC[6a]C)	C(CC[6a]B[5])(CCFF)(CH3)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCC)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C(CC[6a]B[5])(CCFF)(CH3)	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:4:	2:2:3:	3:3:1:	B[5]-3:C-3:C-4:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(B[5]O[5]2)(CC[6a]H)(CH3)	B[5](O[5]C[5])2(CCC)	C(C[6a]C[6a]2)(CB[5]C)(H)	C(B[5]O[5]2)(CC[6a]H)(CH3)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(C[6a]C[6a]2)(CB[5]C)(H)	116.6260	0.000	1	116.6260	0.000	1	116.6260	0.000	1	120.0765	23.812	2	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:4:	2:2:3:	3:3:1:	B[5]-3:C-3:Si-4:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(B[5]O[5]2)(CC[6a]H)(SiC3)	B[5](O[5]C[5])2(CSiC)	C(C[6a]C[6a]2)(CB[5]Si)(H)	C(B[5]O[5]2)(CC[6a]H)(SiC3)	B[5](O[5]C[5])2(CSiC){4|C<4>}	C(C[6a]C[6a]2)(CB[5]Si)(H)	123.5270	0.000	1	123.5270	0.000	1	123.5270	0.000	1	120.0765	23.812	2	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:3:4:	2:2:3:	4:3:1:	B[5]-3:C-3:C-4:	O[5]-2:O[5]-2:C-3:	C[3]-4:C-3:H-1:	C(B[5]O[5]2)(CC[3]H)(CCCH)	B[5](O[5]C[5])2(CCC)	C(C[3]C[3]2H)(CB[5]C)(H)	C(B[5]O[5]2)(CC[3]H)(CCCH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(C[3]C[3]2H)(CB[5]C)(H)	118.4073	0.894	3	118.4073	0.800	3	118.4073	0.800	3	118.4073	0.800	3	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:4:3:	2:2:3:	3:1:1:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	C-3:H-1:H-1:	C(B[5]O[5]2)(CC[6a]CC)(CHH)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)(H)2	C(B[5]O[5]2)(CC[6a]CC)(CHH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)(H)2	118.2600	0.000	1	118.2600	0.000	1	119.2525	1.970	2	119.2525	1.970	2	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:4:3:	2:2:3:	3:1:1:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	C-3:H-1:H-1:	C(B[5]O[5]2)(CHHS)(CHH)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)(H)2	C(B[5]O[5]2)(CHHS)(CHH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)(H)2	120.2450	0.000	1	120.2450	0.000	1	119.2525	1.970	2	119.2525	1.970	2	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:4:3:	2:2:3:	3:2:1:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	C-3:O-2:H-1:	C(B[5]O[5]2)(CCHH)(CHO)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)(OC[6a])(H)	C(B[5]O[5]2)(CCHH)(CHO)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)(OC[6a])(H)	116.8350	0.000	1	116.8350	0.000	1	116.8350	0.000	1	116.8350	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:4:3:	2:2:3:	3:3:1:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	C-3:C-3:H-1:	C(B[5]O[5]2)(CH3)(CCH)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)(CCH)(H)	C(B[5]O[5]2)(CH3)(CCH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)(CCH)(H)	124.6300	0.000	1	124.6300	0.000	1	124.6300	0.000	1	124.6300	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	930	0:SP2_SP2_SP2	C	B[5]	C	3:4:3:	2:2:3:	3:3:3:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5]O[5]2)(CB[6a]HH)(CC[6a]2)	B[5](O[5]C[5])2(CCC)	C(C[6a]C[6a]2)2(CB[5]C)	C(B[5]O[5]2)(CB[6a]HH)(CC[6a]2)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(C[6a]C[6a]2)2(CB[5]C)	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	121.5807	16.076	55	121.5807	16.076	55
930	2	941	0:SP2_SP2_SP2	C	B[5]	N	3:2:1:	2:2:3:	3:3:	B[5]-3:N-2:H-1:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:	C(B[5]O[5]2)(NC[6a])(H)	B[5](O[5]C[5])2(CHN)	N(C[6a]C[6a]2)(CB[5]H)	C(B[5]O[5]2)(NC[6a])(H)	B[5](O[5]C[5])2(CHN){4|C<4>}	N(C[6a]C[6a]2)(CB[5]H)	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:2:1:	2:2:3:	3:	B[5]-3:N-2:H-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(NC[6a])(H)	B[5](O[5]C[5])2(CHN)	H(CB[5]N)	C(B[5]O[5]2)(NC[6a])(H)	B[5](O[5]C[5])2(CHN){4|C<4>}	H(CB[5]N)	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	2:2:3:	3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(CCC)(H)	B[5](O[5]C[5])2(CCH)	H(CB[5]C)	C(B[5]O[5]2)(CCC)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	H(CB[5]C)	117.0047	0.710	3	117.0047	0.503	3	116.6912	2.405	14	116.5944	2.373	15	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	2:2:3:	3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(CCH)(H)	B[5](O[5]C[5])2(CCH)	H(CB[5]C)	C(B[5]O[5]2)(CCH)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	H(CB[5]C)	116.0460	0.028	2	116.0460	0.001	2	116.6912	2.405	14	116.5944	2.373	15	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	2:2:3:	3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(CC[3,6]H)(H)	B[5](O[5]C[5])2(CCH)	H(CB[5]C)	C(B[5]O[5]2)(CC[3,6]H)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	H(CB[5]C)	118.5570	0.000	1	118.5570	0.000	1	116.6912	2.405	14	116.5944	2.373	15	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	2:2:3:	3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(CC[6a]2)(H)	B[5](O[5]C[5])2(CCH)	H(CB[5]C)	C(B[5]O[5]2)(CC[6a]2)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	H(CB[5]C)	114.4710	0.000	1	114.4710	0.000	1	116.6912	2.405	14	116.5944	2.373	15	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	2:2:3:	3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(CC[6a]B)(H)	B[5](O[5]C[5])2(CCH)	H(CB[5]C)	C(B[5]O[5]2)(CC[6a]B)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	H(CB[5]C)	115.6412	0.304	4	115.6412	0.092	4	116.6912	2.405	14	116.5944	2.373	15	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	2:2:3:	3:	B[5]-3:C-3:H-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(CN[5a]H)(H)	B[5](O[5]C[5])2(CCH)	H(CB[5]C)	C(B[5]O[5]2)(CN[5a]H)(H)	B[5](O[5]C[5])2(CCH){4|C<4>}	H(CB[5]C)	118.3260	2.001	3	118.3260	4.005	3	116.6912	2.405	14	116.5944	2.373	15	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	2:2:3:	3:	B[5]-3:C[6]-3:H-1:	O[5]-2:O[5]-2:C-3:	C-3:	C(B[5]O[5]2)(C[6]C[6]2)(H)	B[5](O[5]C[5])2(CC[6]H)	H(CB[5]C[6])	C(B[5]O[5]2)(C[6]C[6]2)(H)	B[5](O[5]C[5])2(CC[6]H){4|C<4>}	H(CB[5]C[6])	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	116.5944	2.373	15	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	3:3:3:	3:	B[5]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(B[5]C[5,6a]2)(CCH)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(CCH)	H(CB[5]C)	C(B[5]C[5,6a]2)(CCH)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	H(CB[5]C)	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	116.9735	12.645	2	116.8456	3.482	18	116.8456	3.482	18
930	2	951	0:SP2_SP-NON_SP2	C	B[5]	H	3:3:1:	3:3:3:	3:	B[5]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(B[5]N[5]2)(C[6]C[6]2)(H)	B[5](N[5]C[5]C)2(CC[6]H)	H(CB[5]C[6])	C(B[5]N[5]2)(C[6]C[6]2)(H)	B[5](N[5]C[5]C)2(CC[6]H){4|H<1>}	H(CB[5]C[6])	114.4590	0.000	1	114.4590	0.000	1	114.4590	0.000	1	116.9735	12.645	2	116.8456	3.482	18	116.8456	3.482	18
930	2	983	0:SP2_SP1_SP2	C	B[5]	C	3:3:2:	2:2:3:	3:3:	B[5]-3:C-3:C-2:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:	C(B[5]O[5]2)(CC[6a]C)(CC[6a])	B[5](O[5]C[5])2(CCC)	C(C[6a]C[6a]2)(CB[5]C)	C(B[5]O[5]2)(CC[6a]C)(CC[6a])	B[5](O[5]C[5])2(CCC){4|C<4>}	C(C[6a]C[6a]2)(CB[5]C)	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1
930	3	643	0:SP2_SP2_SP2	C	B[5a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:O-1:	N[5a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(O)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CB[5a]O)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(O)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CB[5a]O){1|C<3>,2|H<1>}	123.3690	0.000	3	123.3690	0.000	3	123.3690	0.000	3	123.3690	0.000	3	118.1735	13.879	12	118.1735	13.879	12
930	3	643	0:SP2_SP2_SP2	C	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:3:	B[5a]-3:C-3:C[6a]-3:	O[5a]-2:O[5a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	B[5a](O[5a]C[5a,6a])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	B[5a](O[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	115.5230	2.659	2	115.5230	7.069	2	115.5230	7.069	2	117.2314	6.346	5	118.1735	13.879	12	118.1735	13.879	12
930	3	643	0:SP2_SP2_SP2	C	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:3:	B[5a]-3:C[6a]-3:C-3:	O[5a]-2:O[5a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	B[5a](O[5a]C[5a,6a])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	B[5a](O[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	115.9780	0.000	1	115.9780	0.000	1	118.3703	4.293	3	117.2314	6.346	5	118.1735	13.879	12	118.1735	13.879	12
930	3	643	0:SP2_SP2_SP2	C	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:3:	B[5a]-3:C[6a]-3:C-3:	O[5a]-2:O[5a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	B[5a](O[5a]C[5a,6a])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	B[5a](O[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	119.5665	0.036	2	119.5665	0.001	2	118.3703	4.293	3	117.2314	6.346	5	118.1735	13.879	12	118.1735	13.879	12
930	3	643	0:SP2_SP2_SP2	C	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	B[5a](N[5a]C[5a,6a]C)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	B[5a](N[5a]C[5a,6a]C)2(CC[6a]C){2|C<3>}	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	113.8180	0.000	1	113.8180	0.000	1	115.4545	4.100	4	115.4545	4.100	4	118.1735	13.879	12	118.1735	13.879	12
930	3	643	0:SP2_SP2_SP2	C	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	118.2280	0.000	1	118.2280	0.000	1	115.4545	4.100	4	115.4545	4.100	4	118.1735	13.879	12	118.1735	13.879	12
930	3	643	0:SP2_SP2_SP2	C	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Sn)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Sn)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	114.8860	1.133	2	114.8860	1.283	2	115.4545	4.100	4	115.4545	4.100	4	118.1735	13.879	12	118.1735	13.879	12
930	3	762	0:SP2_SP2_SP2	C	B[5a]	C[6]	3:3:4:	2:2:3:	3:3:3:	C[6]-3:B[5a]-3:P-4:	O[5a]-2:O[5a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(B[5a]O[5a]2)(PRuCC)	B[5a](O[5a]C[5a,6a])2(CC[6]P)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5a]P)	C(C[6]C[6]N[6])(B[5a]O[5a]2)(PRuCC)	B[5a](O[5a]C[5a,6a])2(CC[6]P){2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5a]P){1|C<3>,1|C<4>,1|H<1>}	123.1850	0.000	1	123.1850	0.000	1	123.1850	0.000	1	123.1850	0.000	1	123.1850	0.000	1	123.1850	0.000	1
930	3	863	0:SP2_SP2_SP2	C	B[5a]	O	3:2:1:	3:3:3:	3:	B[5a]-3:O-2:O-1:	N[5a]-3:N[5a]-3:C-3:	C-3:	C(B[5a]N[5a]2)(OC)(O)	B[5a](N[5a]C[5a]C[6a])2(COO)	O(CB[5a]O)	C(B[5a]N[5a]2)(OC)(O)	B[5a](N[5a]C[5a]C[6a])2(COO){2|H<1>,4|C<3>}	O(CB[5a]O)	123.9590	0.000	2	123.9590	0.000	2	125.2260	2.140	4	125.2260	2.140	4	121.3714	18.044	8	121.3714	18.044	8
930	3	863	0:SP2_SP2_SP2	C	B[5a]	O	3:2:1:	3:3:3:	3:	B[5a]-3:O-2:O-1:	N[5a]-3:N[5a]-3:C-3:	C-3:	C(B[5a]N[5a]2)(OC[6a])(O)	B[5a](N[5a]C[5a]C[6a])2(COO)	O(CB[5a]O)	C(B[5a]N[5a]2)(OC[6a])(O)	B[5a](N[5a]C[5a]C[6a])2(COO){2|H<1>,4|C<3>}	O(CB[5a]O)	126.4930	0.000	2	126.4930	0.000	2	125.2260	2.140	4	125.2260	2.140	4	121.3714	18.044	8	121.3714	18.044	8
930	3	863	0:SP2_SP2_SP2	C	B[5a]	O	3:3:1:	3:3:3:	3:	B[5a]-3:C[6a]-3:O-1:	N[5a]-3:N[5a]-3:C-3:	C-3:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(O)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]O)	O(CB[5a]C[6a])	C(B[5a]N[5a]2)(C[6a]C[6a]2)(O)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	O(CB[5a]C[6a])	117.2250	0.000	3	117.2250	0.000	3	117.2250	0.000	3	117.5168	0.340	4	121.3714	18.044	8	121.3714	18.044	8
930	3	863	0:SP2_SP2_SP2	C	B[5a]	O	3:3:1:	3:3:3:	3:	B[5a]-3:P-3:O-1:	N[5a]-3:N[5a]-3:C-3:	C-3:	C(B[5a]N[5a]2)(PAuFe)(O)	B[5a](N[5a]C[5a]C[6a])2(COP)	O(CB[5a]P)	C(B[5a]N[5a]2)(PAuFe)(O)	B[5a](N[5a]C[5a]C[6a])2(COP){2|H<1>,4|C<3>}	O(CB[5a]P)	118.3920	0.000	1	118.3920	0.000	1	118.3920	0.000	1	117.5168	0.340	4	121.3714	18.044	8	121.3714	18.044	8
930	3	880	0:SP2_SP2_SP3	C	B[5a]	Si	3:4:2:	3:3:3:	3:4:4:4:	B[5a]-3:Si-4:N-2:	N[5a]-3:N[5a]-3:C-3:	C-3:C-4:C-4:C-4:	C(B[5a]N[5a]2)(SiC3)(NN)	B[5a](N[5a]C[5a]C)2(CSiN)	Si(CB[5a]N)(CH3)3	C(B[5a]N[5a]2)(SiC3)(NN)	B[5a](N[5a]C[5a]C)2(CSiN){2|H<1>}	Si(CB[5a]N)(CH3)3	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1
930	3	893	0:SP2_SP2_SP2	C	B[5a]	O	3:2:1:	3:3:3:	3:3:	B[5a]-3:O-2:O-1:	N[5a]-3:N[5a]-3:C-3:	C[6a]-3:C-3:	C(B[5a]N[5a]2)(OC[6a])(O)	B[5a](N[5a]C[5a]C[6a])2(COO)	O(C[6a]C[6a]2)(CB[5a]O)	C(B[5a]N[5a]2)(OC[6a])(O)	B[5a](N[5a]C[5a]C[6a])2(COO){2|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CB[5a]O)	111.7220	0.000	2	111.7220	0.000	2	111.7220	0.000	2	111.7220	0.000	2	114.7073	21.775	6	114.7073	21.775	6
930	3	893	0:SP2_SP2_SP2	C	B[5a]	O	3:2:1:	3:3:3:	3:4:	B[5a]-3:O-2:O-1:	N[5a]-3:N[5a]-3:C-3:	C-3:C-4:	C(B[5a]N[5a]2)(OC)(O)	B[5a](N[5a]C[5a]C[6a])2(COO)	O(CB[5a]O)(CC3)	C(B[5a]N[5a]2)(OC)(O)	B[5a](N[5a]C[5a]C[6a])2(COO){2|H<1>,4|C<3>}	O(CB[5a]O)(CC3)	111.8990	0.000	2	111.8990	0.000	2	111.8990	0.000	2	111.8990	0.000	2	114.7073	21.775	6	114.7073	21.775	6
930	3	893	0:SP2_SP2_SP2	C	B[5a]	O	3:2:2:	3:3:3:	3:4:	B[5a]-3:O-2:P-2:	N[5a]-3:N[5a]-3:C-3:	C-3:Si-4:	C(B[5a]N[5a]2)(OSi)(PFe)	B[5a](N[5a]C[5a]C[6a])2(COP)	O(CB[5a]P)(SiC3)	C(B[5a]N[5a]2)(OSi)(PFe)	B[5a](N[5a]C[5a]C[6a])2(COP){2|H<1>,4|C<3>}	O(CB[5a]P)(SiC3)	120.5010	2.854	2	120.5010	8.145	2	120.5010	8.145	2	120.5010	8.145	2	114.7073	21.775	6	114.7073	21.775	6
930	3	930	0:SP2_SP2_SP2	C	B[5a]	C	3:3:1:	2:2:3:	3:3:1:	B[5a]-3:C-3:H-1:	O[5a]-2:O[5a]-2:C-3:	C[6a]-3:C-3:H-1:	C(B[5a]O[5a]2)(CC[6a]H)(H)	B[5a](O[5a]C[5a,6a])2(CCH)	C(C[6a]C[6a]2)(CB[5a]H)(H)	C(B[5a]O[5a]2)(CC[6a]H)(H)	B[5a](O[5a]C[5a,6a])2(CCH){2|C<3>}	C(C[6a]C[6a]2)(CB[5a]H)(H)	123.4125	1.852	2	123.4125	3.430	2	123.4125	3.430	2	123.4125	3.430	2	120.5531	10.563	10	120.5531	10.563	10
930	3	930	0:SP2_SP2_SP2	C	B[5a]	C	3:3:1:	2:2:3:	3:3:3:	B[5a]-3:C-3:H-1:	O[5a]-2:O[5a]-2:C-3:	B[5a]-3:C[6a]-3:C-3:	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	B[5a](O[5a]C[5a,6a])2(CCH)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	B[5a](O[5a]C[5a,6a])2(CCH){2|C<3>}	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	123.1490	0.000	1	123.1490	0.000	1	123.1490	0.000	1	123.1490	0.000	1	120.5531	10.563	10	120.5531	10.563	10
930	3	930	0:SP2_SP2_SP2	C	B[5a]	C	3:3:3:	2:2:3:	3:3:1:	B[5a]-3:C[6a]-3:C-3:	O[5a]-2:O[5a]-2:C-3:	B[5a]-3:C-3:H-1:	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	B[5a](O[5a]C[5a,6a])2(CC[6a]C)	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	B[5a](O[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	116.9663	9.580	3	120.5531	10.563	10	120.5531	10.563	10
930	3	930	0:SP2_SP2_SP2	C	B[5a]	C	3:3:3:	2:2:3:	3:3:1:	B[5a]-3:C[6a]-3:C-3:	O[5a]-2:O[5a]-2:C-3:	C-3:N-3:H-1:	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	B[5a](O[5a]C[5a,6a])2(CC[6a]C)	C(CB[5a]C[6a])(NC[6a]C)(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	B[5a](O[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	C(CB[5a]C[6a])(NC[6a]C)(H)	115.1795	0.050	2	115.1795	0.003	2	115.1795	0.003	2	116.9663	9.580	3	120.5531	10.563	10	120.5531	10.563	10
930	3	930	0:SP2_SP2_SP2	C	B[5a]	C	3:3:3:	2:2:3:	3:3:3:	B[5a]-3:C-3:C[6a]-3:	O[5a]-2:O[5a]-2:C-3:	B[5a]-3:C-3:C[6a]-3:	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	B[5a](O[5a]C[5a,6a])2(CC[6a]C)	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	B[5a](O[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	120.5880	2.619	2	120.5880	6.860	2	120.5880	6.860	2	120.5880	6.860	2	120.5531	10.563	10	120.5531	10.563	10
930	3	930	0:SP2_SP2_SP2	C	B[5a]	C	3:3:3:	3:3:3:	3:3:2:	B[5a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-3:C-3:	C-3:C[6a]-3:Ge-2:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C)	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	122.4850	0.000	1	122.4850	0.000	1	122.4850	0.000	1	122.4850	0.000	1	120.5531	10.563	10	120.5531	10.563	10
930	3	930	0:SP2_SP2_SP2	C	B[5a]	C	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-3:C-3:	C-3:C[6a]-3:B[5]-3:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	B[5a](N[5a]C[5a,6a]C)2(CC[6a]C)	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	B[5a](N[5a]C[5a,6a]C)2(CC[6a]C){2|C<3>}	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	120.9970	0.000	1	120.9970	0.000	1	120.9970	0.000	1	120.9970	0.000	1	120.5531	10.563	10	120.5531	10.563	10
930	3	940	0:SP2_SP-NON_SP2	C	B[5a]	P	3:2:2:	3:3:3:	3:2:	B[5a]-3:N-2:P-2:	N[5a]-3:N[5a]-3:C-3:	C-3:C-2:	C(B[5a]N[5a]2)(NC[6a])(PC)	B[5a](N[5a]C[5a]C[6a])2(CNP)	P(CB[5a]N)(CN)	C(B[5a]N[5a]2)(NC[6a])(PC)	B[5a](N[5a]C[5a]C[6a])2(CNP){2|H<1>,4|C<3>}	P(CB[5a]N)(CN)	113.7170	0.000	1	113.7170	0.000	1	118.3470	42.874	2	118.3470	42.874	2	118.3470	42.874	2	118.3470	42.874	2
930	3	940	0:SP2_SP-NON_SP2	C	B[5a]	P	3:2:2:	3:3:3:	3:2:	B[5a]-3:N-2:P-2:	N[5a]-3:N[5a]-3:C-3:	C-3:C-2:	C(B[5a]N[5a]2)(NC[6a])(PC)	B[5a](N[5a]C[5a]C[6a])2(CNP)	P(CB[5a]N)(CO)	C(B[5a]N[5a]2)(NC[6a])(PC)	B[5a](N[5a]C[5a]C[6a])2(CNP){2|H<1>,4|C<3>}	P(CB[5a]N)(CO)	122.9770	0.000	1	122.9770	0.000	1	118.3470	42.874	2	118.3470	42.874	2	118.3470	42.874	2	118.3470	42.874	2
930	3	941	0:SP2_SP2_SP2	C	B[5a]	N	3:2:2:	3:3:3:	3:3:	B[5a]-3:N-2:P-2:	N[5a]-3:N[5a]-3:C-3:	C[6a]-3:C-3:	C(B[5a]N[5a]2)(NC[6a])(PC)	B[5a](N[5a]C[5a]C[6a])2(CNP)	N(C[6a]C[6a]2)(CB[5a]P)	C(B[5a]N[5a]2)(NC[6a])(PC)	B[5a](N[5a]C[5a]C[6a])2(CNP){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CB[5a]P)	117.8150	3.567	2	117.8150	12.721	2	117.8150	12.721	2	117.8150	12.721	2	117.6397	6.453	3	117.6397	6.453	3
930	3	941	0:SP2_SP2_SP2	C	B[5a]	N	3:4:2:	3:3:3:	3:1:	B[5a]-3:Si-4:N-2:	N[5a]-3:N[5a]-3:C-3:	C-3:N-1:	C(B[5a]N[5a]2)(SiC3)(NN)	B[5a](N[5a]C[5a]C)2(CSiN)	N(CB[5a]Si)(N)	C(B[5a]N[5a]2)(SiC3)(NN)	B[5a](N[5a]C[5a]C)2(CSiN){2|H<1>}	N(CB[5a]Si)(N)	117.2890	0.000	1	117.2890	0.000	1	117.2890	0.000	1	117.2890	0.000	1	117.6397	6.453	3	117.6397	6.453	3
930	3	951	0:SP2_SP-NON_SP2	C	B[5a]	H	3:3:1:	2:2:3:	3:	B[5a]-3:C-3:H-1:	O[5a]-2:O[5a]-2:C-3:	C-3:	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	B[5a](O[5a]C[5a,6a])2(CCH)	H(CB[5a]C)	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	B[5a](O[5a]C[5a,6a])2(CCH){2|C<3>}	H(CB[5a]C)	118.4290	0.000	1	118.4290	0.000	1	118.3433	0.403	3	118.3433	0.403	3	118.3433	0.403	3	118.3433	0.403	3
930	3	951	0:SP2_SP-NON_SP2	C	B[5a]	H	3:3:1:	2:2:3:	3:	B[5a]-3:C-3:H-1:	O[5a]-2:O[5a]-2:C-3:	C-3:	C(B[5a]O[5a]2)(CC[6a]H)(H)	B[5a](O[5a]C[5a,6a])2(CCH)	H(CB[5a]C)	C(B[5a]O[5a]2)(CC[6a]H)(H)	B[5a](O[5a]C[5a,6a])2(CCH){2|C<3>}	H(CB[5a]C)	118.3005	0.892	2	118.3005	0.795	2	118.3433	0.403	3	118.3433	0.403	3	118.3433	0.403	3	118.3433	0.403	3
930	10	490	0:SP2_SP3_SPD6	C	P	C	6:4:3:	3:1:1:1:1:1:	4:4:4:3:	P-6:C-4:N-3:	C-3:F-1:F-1:F-1:F-1:F-1:	C-4:C-4:C-4:C-3:	C(PF5)(CC3)(NCC)	P(CCN)(F)5	C(CH3)3(CNP)	C(PF5)(CC3)(NCC)	P(CCN)(F)5	C(CH3)3(CNP)	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1
930	10	643	0:SP2_SP2_SPD6	C	P	C[6a]	3:6:3:	3:1:1:1:1:1:	3:3:3:	C[6a]-3:P-6:N-3:	C-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PF5)(NCC)	P(CC[6a]N)(F)5	C[6a](C[6a]C[6a]H)2(CNP)	C(C[6a]C[6a]2)(PF5)(NCC)	P(CC[6a]N)(F)5	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1
930	10	951	0:SP2_SP-NON_SPD6	C	P	H	6:3:1:	3:1:1:1:1:1:	3:	P-6:N-3:H-1:	C-3:F-1:F-1:F-1:F-1:F-1:	C-3:	C(PF5)(NCC)(H)	P(CHN)(F)5	H(CNP)	C(PF5)(NCC)(H)	P(CHN)(F)5	H(CNP)	114.1680	1.629	2	114.1680	2.654	2	114.1680	2.654	2	114.1680	2.654	2	114.1680	2.654	2	114.1680	2.654	2
930	10	956	0:SP2_SP2_SPD6	C	P	N	3:6:3:	3:1:1:1:1:1:	3:4:4:	C[6a]-3:P-6:N-3:	C-3:F-1:F-1:F-1:F-1:F-1:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(PF5)(NCC)	P(CC[6a]N)(F)5	N(CC[6a]P)(CH3)2	C(C[6a]C[6a]2)(PF5)(NCC)	P(CC[6a]N)(F)5	N(CC[6a]P)(CH3)2	126.0280	0.000	1	126.0280	0.000	1	126.0280	0.000	1	126.0280	0.000	1	123.5124	18.177	10	123.5124	18.177	10
930	10	956	0:SP2_SP2_SPD6	C	P	N	6:3:1:	3:1:1:1:1:1:	4:4:3:	P-6:N-3:H-1:	C-3:F-1:F-1:F-1:F-1:F-1:	C-4:C-4:C-3:	C(PF5)(NCC)(H)	P(CHN)(F)5	N(CH3)2(CHP)	C(PF5)(NCC)(H)	P(CHN)(F)5	N(CH3)2(CHP)	130.9930	0.181	2	130.9930	0.033	2	130.9930	0.033	2	130.9930	0.033	2	123.5124	18.177	10	123.5124	18.177	10
930	10	956	0:SP2_SP2_SPD6	C	P	N	6:3:3:	3:1:1:1:1:1:	4:4:3:	P-6:N-3:N-3:	C-3:F-1:F-1:F-1:F-1:F-1:	C-4:C-4:C-3:	C(PF5)(NCC)2	P(CNN)(F)5	N(CH3)2(CNP)	C(PF5)(NCC)2	P(CNN)(F)5	N(CH3)2(CNP)	121.5135	0.312	2	121.5135	0.097	2	121.5135	0.097	2	121.5135	0.097	2	123.5124	18.177	10	123.5124	18.177	10
930	10	956	0:SP2_SP2_SPD6	C	P	N	6:3:3:	4:3:1:1:1:1:	4:4:3:	P-6:N-3:N-3:	C-4:C-3:F-1:F-1:F-1:F-1:	C-4:C-4:C-3:	C(PCF4)(NCC)2	P(CCFF)(CNN)(F)4	N(CH3)2(CNP)	C(PCF4)(NCC)2	P(CCFF)(CNN)(F)4	N(CH3)2(CNP)	121.0005	0.265	4	121.0005	0.070	4	121.0005	0.070	4	121.0005	0.070	4	123.5124	18.177	10	123.5124	18.177	10
930	10	956	0:SP2_SP2_SPD6	C	P	N	6:4:3:	3:1:1:1:1:1:	4:4:3:	P-6:C-4:N-3:	C-3:F-1:F-1:F-1:F-1:F-1:	C-4:C-4:C-3:	C(PF5)(CC3)(NCC)	P(CCN)(F)5	N(CH3)2(CCP)	C(PF5)(CC3)(NCC)	P(CCN)(F)5	N(CH3)2(CCP)	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	123.5124	18.177	10	123.5124	18.177	10
930	18	362	0:SP2_SPD6_SPD6	C	B[3x3,3x5,12x6]	C[5x3,5x5,20x6]	6:6:1:	6:6:5:5:3:1:	6:6:6:6:6:3:	B[3x3,3x5,12x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(CC[5x3,5x5,20x6]H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CB[3x3,3x5,12x6]H)	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(CC[5x3,5x5,20x6]H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CB[3x3,3x5,12x6]H){1|B<6>,5|H<1>}	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1
930	18	490	0:SP2_SP3_SPD6	C	B[5x3,5x5,20x6]	C	6:4:3:	6:6:6:6:6:3:	3:4:1:1:	B[5x3,5x5,20x6]-6:C-4:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCHH)(CRuC)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)2(CCC)	C(CB[5x3,5x5,20x6]C)(CH3)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCHH)(CRuC)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)2(CCC){1|B<6>,5|H<1>}	C(CB[5x3,5x5,20x6]C)(CH3)(H)2	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1
930	18	643	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]C)	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]C){1|B<6>,5|H<1>}	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	117.7690	0.000	1	117.7690	0.000	1	117.7690	0.000	1	118.5405	0.730	4	118.5405	0.730	4	118.5405	0.730	4
930	18	643	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[6a]C)	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[6a]C){1|B<6>,5|H<1>}	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	118.9830	1.090	2	118.9830	1.189	2	118.9830	1.189	2	118.5405	0.730	4	118.5405	0.730	4	118.5405	0.730	4
930	18	643	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C)	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C){1|B<6>,5|H<1>}	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	118.5405	0.730	4	118.5405	0.730	4	118.5405	0.730	4
930	18	930	0:SP2_SP2_SPD6	C	B[4x3,5,4x6]	C	6:3:1:	6:6:6:2:2:3:	3:4:1:	B[4x3,5,4x6]-6:C-3:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C-3:	C-3:Si-4:H-1:	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCH)	C(CB[4x3,5,4x6]H)(SiC3)(H)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCH){2|B<6>,2|H<2>,4|H<1>}	C(CB[4x3,5,4x6]H)(SiC3)(H)	125.6520	0.000	2	125.6520	0.000	2	125.6520	0.000	2	125.6520	0.000	2	125.6520	0.000	2	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,3x5,11x6]	C	6:3:3:	6:6:5:5:6:3:	3:2:1:	B[5x3,3x5,11x6]-6:C-3:C-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:B[5x3,5x5,5x6]-6:C-3:	C-3:O-2:O-1:	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CCoC)(COO)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CCC)	C(CB[5x3,3x5,11x6]C)(OC)(O)	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CCoC)(COO)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CCC){1|B<6>,4|H<1>}	C(CB[5x3,3x5,11x6]C)(OC)(O)	115.0045	0.993	2	115.0045	0.987	2	115.0045	0.987	2	115.0045	0.987	2	115.0045	0.987	2	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH)	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH){1|B<6>,2|C<4>,3|H<1>}	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	123.3100	0.000	1	123.3100	0.000	1	123.3100	0.000	1	128.5343	20.579	15	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,1|C<3>,4|H<1>}	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	125.0545	1.994	4	124.8816	2.739	7	128.4728	18.707	13	128.5343	20.579	15	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,5|H<1>}	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	124.6510	1.454	3	124.8816	2.739	7	128.4728	18.707	13	128.5343	20.579	15	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,1|C<3>,4|H<1>}	C(CB[5x3,5x5,20x6]H)(COO)(H)	132.5980	1.755	5	132.6627	2.488	6	128.4728	18.707	13	128.5343	20.579	15	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,5|H<1>}	C(CB[5x3,5x5,20x6]H)(COO)(H)	132.9860	0.000	1	132.6627	2.488	6	128.4728	18.707	13	128.5343	20.579	15	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	B[5x3,5x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]Se[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]Se)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	B[5x3,5x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]Se[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]Se)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|Co<8>,1|B<6>,2|C<4>,4|H<1>}	C(CB[5x3,5x5,20x6]H)(COO)(H)	134.5570	0.000	1	134.5570	0.000	1	134.5570	0.000	1	128.5343	20.579	15	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:2:1:	B[5x3,5x5,20x6]-6:C-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:O-2:O-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC)	C(CB[5x3,5x5,20x6]C)(OC)(O)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC){1|B<6>,1|C<3>,4|H<1>}	C(CB[5x3,5x5,20x6]C)(OC)(O)	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC)	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC){1|B<6>,1|C<3>,4|H<1>}	C(CB[5x3,5x5,20x6]C)(COO)(H)	126.7550	0.000	1	126.7550	0.000	1	126.7550	0.000	1	120.3336	13.063	5	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]C)	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]C){1|B<6>,5|H<1>}	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	120.3336	13.063	5	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[6a]C)	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[6a]C){1|B<6>,5|H<1>}	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	118.8535	0.469	2	118.8535	0.220	2	118.8535	0.220	2	120.3336	13.063	5	126.1506	31.963	21	125.2190	36.147	25
930	18	930	0:SP2_SP2_SPD6	C	B[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C)	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C){1|B<6>,5|H<1>}	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	120.3336	13.063	5	126.1506	31.963	21	125.2190	36.147	25
930	18	951	0:SP2_SP-NON_SPD6	C	B[3x3,3x5,12x6]	H	6:6:1:	6:6:5:5:3:1:	3:	B[3x3,3x5,12x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:C-3:H-1:	C-3:	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(CC[5x3,5x5,20x6]H)(H)	H(CB[3x3,3x5,12x6]C[5x3,5x5,20x6])	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(CC[5x3,5x5,20x6]H)(H){1|B<6>,5|H<1>}	H(CB[3x3,3x5,12x6]C[5x3,5x5,20x6])	144.4410	0.000	1	144.4410	0.000	1	144.4410	0.000	1	144.4410	0.000	1	144.4410	0.000	1	117.4180	44.867	20
930	18	951	0:SP2_SP-NON_SPD6	C	B[4x3,4,5x5,21x6]	H	6:3:1:	6:6:5:5:6:3:	3:	B[4x3,4,5x5,21x6]-6:C-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,14x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C-3:	C-3:	C(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(CCoC)(H)	B[4x3,4,5x5,21x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2S)2(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(CCH)	H(CB[4x3,4,5x5,21x6]C)	C(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(CCoC)(H)	B[4x3,4,5x5,21x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2S)2(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(CCH){1|B<6>,5|H<1>}	H(CB[4x3,4,5x5,21x6]C)	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	117.4180	44.867	20
930	18	951	0:SP2_SP-NON_SPD6	C	B[4x3,5,4x6]	H	6:3:1:	6:6:6:2:2:3:	3:	B[4x3,5,4x6]-6:C-3:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C-3:	C-3:	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCH)	H(CB[4x3,5,4x6]C)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCH){2|B<6>,2|H<2>,4|H<1>}	H(CB[4x3,5,4x6]C)	117.1750	0.000	2	117.1750	0.000	2	117.1750	0.000	2	117.1750	0.000	2	117.1750	0.000	2	117.4180	44.867	20
930	18	951	0:SP2_SP-NON_SPD6	C	B[5x3,3x5,11x6]	H	6:3:1:	6:6:5:5:6:3:	3:	B[5x3,3x5,11x6]-6:C-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:B[5x3,5x5,5x6]-6:C-3:	C-3:	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CC[6a]Co)(H)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CCH)	H(CB[5x3,3x5,11x6]C)	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CC[6a]Co)(H)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CCH){1|B<6>,4|H<1>}	H(CB[5x3,3x5,11x6]C)	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	117.4180	44.867	20
930	18	951	0:SP2_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH)	H(CB[5x3,5x5,20x6]C)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH){1|B<6>,2|C<4>,3|H<1>}	H(CB[5x3,5x5,20x6]C)	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	115.7991	5.470	15	115.7991	5.470	15	117.4180	44.867	20
930	18	951	0:SP2_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	H(CB[5x3,5x5,20x6]C)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,1|C<3>,4|H<1>}	H(CB[5x3,5x5,20x6]C)	115.3673	2.194	9	115.8375	5.052	13	115.8375	5.052	13	115.7991	5.470	15	115.7991	5.470	15	117.4180	44.867	20
930	18	951	0:SP2_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	H(CB[5x3,5x5,20x6]C)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,5|H<1>}	H(CB[5x3,5x5,20x6]C)	116.8953	2.284	4	115.8375	5.052	13	115.8375	5.052	13	115.7991	5.470	15	115.7991	5.470	15	117.4180	44.867	20
930	18	951	0:SP2_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	B[5x3,5x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]Se[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]Se)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	H(CB[5x3,5x5,20x6]C)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	B[5x3,5x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]Se[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]Se)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|Co<8>,1|B<6>,2|C<4>,4|H<1>}	H(CB[5x3,5x5,20x6]C)	112.7380	0.000	1	112.7380	0.000	1	112.7380	0.000	1	115.7991	5.470	15	115.7991	5.470	15	117.4180	44.867	20
930	58	930	0:SP2_SP2_SP3	C	S[5]	C	3:3:3:	3:3:3:	3:2:1:	S[5]-3:C-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:O-2:O-1:	C(S[5]C[5,6a]2)(COO)2	S[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C(CS[5]C)(OC)(O)	C(S[5]C[5,6a]2)(COO)2	S[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C(CS[5]C)(OC)(O)	116.7580	0.103	2	116.7580	0.011	2	116.7580	0.011	2	116.7580	0.011	2	116.7390	15.718	4	116.7390	15.718	4
930	58	930	0:SP2_SP2_SP3	C	S[5]	C	3:3:3:	4:4:3:	2:3:1:	S[5]-3:C-3:C-3:	C[5,6]-4:C[5]-4:C-3:	O-2:C-3:O-1:	C(S[5]C[5,6]C[5])(CCO)(COO)	S[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(CCC)	C(OC[6,6])(CS[5]C)(O)	C(S[5]C[5,6]C[5])(CCO)(COO)	S[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(CCC){1|O<2>,2|C<4>,2|H<1>}	C(OC[6,6])(CS[5]C)(O)	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	116.7390	15.718	4	116.7390	15.718	4
930	58	930	0:SP2_SP2_SP3	C	S[5]	C	3:3:3:	4:4:3:	3:4:1:	S[5]-3:C-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:O-1:	C(S[5]C[5,6]C[5])(CCO)(COO)	S[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(CCC)	C(CS[5]C)(CH3)(O)	C(S[5]C[5,6]C[5])(CCO)(COO)	S[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(CCC){1|O<2>,2|C<4>,2|H<1>}	C(CS[5]C)(CH3)(O)	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	116.7390	15.718	4	116.7390	15.718	4
930	74	478	0:SP2_SP2_SP3	C	N[4]	C[4]	4:3:1:	4:4:3:	3:4:3:3:	C[4]-4:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:C[4]-4:N[4]-3:C-3:	C(C[4]C[6a]C[4]N[4])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(CC[4]O)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CN[4]O)	C(C[4]C[6a]C[4]N[4])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(CC[4]O){2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]C)(CN[4]O){2|C<3>,4|H<1>}	117.5545	4.050	2	117.5545	16.399	2	117.5545	16.399	2	117.5545	16.399	2	117.5545	16.399	2	117.5545	16.399	2
930	74	490	0:SP2_SP2_SP3	C	N[4]	C	3:4:1:	4:4:3:	3:3:4:2:	N[4]-3:C-4:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:C-3:C-4:O-2:	C(N[4]C[4]2)(CC[6a]CO)(O)	N[4](C[4]C[4]SnH)(C[4]C[4]HH)(CCO)	C(C[6a]C[6a]2)(CN[4]O)(CF3)(OC)	C(N[4]C[4]2)(CC[6a]CO)(O)	N[4](C[4]C[4]SnH)(C[4]C[4]HH)(CCO){2|H<1>}	C(C[6a]C[6a]2)(CN[4]O)(CF3)(OC)	115.6070	0.165	2	115.6070	0.027	2	115.6070	0.027	2	115.6070	0.027	2	117.7197	3.875	12	117.7197	3.875	12
930	74	490	0:SP2_SP2_SP3	C	N[4]	C	3:4:1:	4:4:3:	3:4:1:1:	N[4]-3:C-4:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:H-1:H-1:	C(N[4]C[4]2)(CCHH)(O)	N[4](C[4]C[4]HH)2(CCO)	C(CN[4]O)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(O)	N[4](C[4]C[4]HH)2(CCO){2|H<1>}	C(CN[4]O)(CCHH)(H)2	115.4665	2.122	2	115.4665	4.503	2	115.4665	4.503	2	115.4665	4.503	2	117.7197	3.875	12	117.7197	3.875	12
930	74	490	0:SP2_SP2_SP3	C	N[4]	C	3:4:1:	4:4:3:	3:4:3:1:	N[4]-3:C-4:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:N-3:H-1:	C(N[4]C[4]2)(CCHN)(O)	N[4](C[4]C[4]CC)(C[4]C[4]HH)(CCO)	C(CN[4]O)(CH3)(NCH)(H)	C(N[4]C[4]2)(CCHN)(O)	N[4](C[4]C[4]CC)(C[4]C[4]HH)(CCO){2|H<1>}	C(CN[4]O)(CH3)(NCH)(H)	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	117.7197	3.875	12	117.7197	3.875	12
930	74	490	0:SP2_SP2_SP3	C	N[4]	C	3:4:1:	4:4:3:	3:4:4:4:	N[4]-3:C-4:S-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:C-4:C-4:	C(N[4]C[4]2)(CC3)(S)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCS)	C(CN[4]S)(CH3)3	C(N[4]C[4]2)(CC3)(S)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCS){1|H<1>,1|O<2>}	C(CN[4]S)(CH3)3	119.8410	0.345	2	119.1641	0.417	7	119.1641	0.417	7	119.1641	0.417	7	117.7197	3.875	12	117.7197	3.875	12
930	74	490	0:SP2_SP2_SP3	C	N[4]	C	3:4:1:	4:4:3:	3:4:4:4:	N[4]-3:C-4:S-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:C-4:C-4:	C(N[4]C[4]2)(CC3)(S)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCS)	C(CN[4]S)(CH3)3	C(N[4]C[4]2)(CC3)(S)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCS){2|H<1>}	C(CN[4]S)(CH3)3	118.8934	0.525	5	119.1641	0.417	7	119.1641	0.417	7	119.1641	0.417	7	117.7197	3.875	12	117.7197	3.875	12
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:1:	4:3:3:	3:3:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[4]O)	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]O){2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]O){1|C<3>,2|H<1>}	119.3987	0.633	3	119.3987	0.401	3	119.3987	0.401	3	119.3987	0.401	3	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:2:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O)	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	114.8460	0.000	1	114.8460	0.000	1	116.7910	7.566	2	116.7910	7.566	2	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:2:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O)	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	118.7360	0.000	1	118.7360	0.000	1	116.7910	7.566	2	116.7910	7.566	2	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:3:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]CC)(C[4]C[4]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[4]O)	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]CC)(C[4]C[4]CH)(CC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]O){1|C<3>,2|H<1>}	118.4470	0.000	1	118.4470	0.000	1	119.1483	0.434	3	119.1483	0.434	3	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:3:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]HH)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[4]O)	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]HH)2(CC[6a]O){2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]O){1|C<3>,2|H<1>}	119.7540	0.000	1	119.7540	0.000	1	119.1483	0.434	3	119.1483	0.434	3	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:3:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[4]O)	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]O){1|C<3>,2|H<1>}	119.2440	0.000	1	119.2440	0.000	1	119.1483	0.434	3	119.1483	0.434	3	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:N[4]-3:C-3:	C[4]-4:C[4]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(CBrC)	N[4](C[4]C[4,5]CC)(C[4]C[4,5]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CN[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CBrC)	N[4](C[4]C[4,5]CC)(C[4]C[4,5]O)(CC[6a]C){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]C){1|C<3>,2|H<1>}	116.8275	0.786	4	116.8275	0.618	4	116.8275	0.618	4	116.0382	3.578	5	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[4]-3:C[6a]-3:C-3:	C[4,6]-4:C[4]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(CBrC)	N[4](C[4,6]C[4,5]C[6]2)(C[4]C[4,5]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CN[4]C)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(CBrC)	N[4](C[4,6]C[4,5]C[6]2)(C[4]C[4,5]O)(CC[6a]C){1|C<3>,2|O<1>,3|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]C){1|C<3>,2|H<1>}	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	116.0382	3.578	5	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP2	C	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:3:	C[6a]-3:N[4]-3:N-3:	Ga[4]-4:Ga[4]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[4]Ga[4]2)(NCH)	N[4](Ga[4]N[4]CC)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CN[4]N)	C(C[6a]C[6a]2)(N[4]Ga[4]2)(NCH)	N[4](Ga[4]N[4]CC)2(CC[6a]N){1|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]N){1|C<3>,2|H<1>}	120.9560	0.000	1	120.9560	0.000	1	120.9560	0.000	1	120.9560	0.000	1	117.8836	4.930	14	117.8836	4.930	14
930	74	643	0:SP2_SP2_SP3	C	N[4,6]	C[6a]	3:3:1:	4:4:3:	3:2:3:	C[6a]-3:N[4,6]-3:O-1:	C[4,6,6]-4:C[4,6,6]-4:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[4,6]C[4,6,6]2)(O)	N[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O)	C(C[6a]C[6a]N[6a])(N[4,6]C[4,6,6]2)(O)	N[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(CC[6a]O){1|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O){1|C<3>,2|H<1>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	118.2948	3.741	6
930	74	643	0:SP2_SP2_SP3	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:2:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O)	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	115.8850	0.000	1	115.8850	0.000	1	117.4275	4.759	2	117.4275	4.759	2	117.8704	3.325	5	118.2948	3.741	6
930	74	643	0:SP2_SP2_SP3	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:2:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O)	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	118.9700	0.000	1	118.9700	0.000	1	117.4275	4.759	2	117.4275	4.759	2	117.8704	3.325	5	118.2948	3.741	6
930	74	643	0:SP2_SP2_SP3	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:3:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]HH)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[4]O)	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]HH)2(CC[6a]O){2|N<3>}	C[6a](C[6a]C[6a]H)2(CN[4]O){1|C<3>,2|H<1>}	118.3090	0.000	1	118.3090	0.000	1	118.1657	3.944	3	118.1657	3.944	3	117.8704	3.325	5	118.2948	3.741	6
930	74	643	0:SP2_SP2_SP3	C	N[4]	C[6a]	3:3:1:	4:4:3:	3:3:3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[4]O)	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]O){1|C<3>,2|H<1>}	118.0940	2.803	2	118.0940	7.857	2	118.1657	3.944	3	118.1657	3.944	3	117.8704	3.325	5	118.2948	3.741	6
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[4,5]-4:C[4]-3:C-3:	C-3:	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(COO)	O(CN[4]O)	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CN[4]O)	124.3190	0.000	1	123.2820	2.151	2	123.2820	2.151	2	122.6616	1.419	7	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[4,5]-4:C[4]-3:C-3:	C-3:	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(COO)	O(CN[4]O)	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O(CN[4]O)	122.2450	0.000	1	123.2820	2.151	2	123.2820	2.151	2	122.6616	1.419	7	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[4,6]-4:C[4]-3:C-3:	C-3:	C(N[4]C[4,6]C[4])(OC)(O)	N[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]O)(COO)	O(CN[4]O)	C(N[4]C[4,6]C[4])(OC)(O)	N[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]O)(COO){1|O<2>,2|C<4>,2|H<1>}	O(CN[4]O)	122.7063	1.227	3	122.7063	1.507	3	122.7063	1.507	3	122.6616	1.419	7	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-3:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]C)(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]C)(COO){1|C<4>,1|H<1>,2|C<3>}	O(CN[4]O)	122.8770	0.000	1	122.8770	0.000	1	121.9740	1.631	2	122.6616	1.419	7	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-3:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(COO){1|C<4>,3|C<3>}	O(CN[4]O)	121.0710	0.000	1	121.0710	0.000	1	121.9740	1.631	2	122.6616	1.419	7	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4,5]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]HH)(COO)	O(CN[4]O)	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]HH)(COO){1|C<4>,1|H<1>,1|N<3>}	O(CN[4]O)	123.7910	0.000	1	123.7910	0.000	1	123.7910	0.000	1	123.8339	0.786	11	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4,6]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4,6]C[4])(OC)(O)	N[4](C[4,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(COO)	O(CN[4]O)	C(N[4]C[4,6]C[4])(OC)(O)	N[4](C[4,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(COO){1|C<4>,1|H<1>,2|C<3>}	O(CN[4]O)	123.0530	0.000	1	123.0530	0.000	1	123.0530	0.000	1	123.8339	0.786	11	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,4]HH)2(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,4]HH)2(COO){2|C<4>}	O(CN[4]O)	123.2380	0.000	1	123.2380	0.000	1	123.9254	0.896	9	123.8339	0.786	11	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,5]HH)2(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,5]HH)2(COO){2|C<4>}	O(CN[4]O)	123.9675	0.655	2	123.9675	0.430	2	123.9254	0.896	9	123.8339	0.786	11	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]CC)(C[4]C[4]HH)(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]CC)(C[4]C[4]HH)(COO){2|H<1>}	O(CN[4]O)	123.2840	0.000	1	123.2840	0.000	1	123.9254	0.896	9	123.8339	0.786	11	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]HH)2(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]HH)2(COO){1|C<4>,1|H<1>}	O(CN[4]O)	124.3500	0.301	2	123.8040	0.940	3	123.9254	0.896	9	123.8339	0.786	11	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]HH)2(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]HH)2(COO){1|H<1>,1|N<3>}	O(CN[4]O)	122.7120	0.000	1	123.8040	0.940	3	123.9254	0.896	9	123.8339	0.786	11	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(COO){2|C<3>,2|H<1>}	O(CN[4]O)	124.7300	1.624	2	124.7300	2.636	2	123.9254	0.896	9	123.8339	0.786	11	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:3:1:	4:3:3:	3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]O)	O(CC[6a]N[4])	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]O){2|H<1>}	O(CC[6a]N[4])	118.3583	0.368	3	118.3583	0.135	3	118.3583	0.135	3	118.3583	0.135	3	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]CC)(C[4]C[4]CH)(CC[6a]O)	O(CC[6a]N[4])	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]CC)(C[4]C[4]CH)(CC[6a]O){1|C<3>,1|H<1>}	O(CC[6a]N[4])	120.3600	0.000	1	120.3600	0.000	1	121.1694	3.984	5	121.1694	3.984	5	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]HH)2(CC[6a]O)	O(CC[6a]N[4])	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]HH)2(CC[6a]O){2|H<1>}	O(CC[6a]N[4])	119.9940	0.000	1	119.9940	0.000	1	121.1694	3.984	5	121.1694	3.984	5	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]O)	O(CC[6a]N[4])	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|O<2>}	O(CC[6a]N[4])	119.4770	0.000	1	119.4770	0.000	1	121.1694	3.984	5	121.1694	3.984	5	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O)	O(CC[6a]N[4])	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|H<1>}	O(CC[6a]N[4])	123.0080	2.068	2	123.0080	4.275	2	121.1694	3.984	5	121.1694	3.984	5	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:4:1:	4:4:3:	3:	N[4]-3:C-4:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(CCHH)(O)	N[4](C[4]C[4]HH)2(CCO)	O(CN[4]C)	C(N[4]C[4]2)(CCHH)(O)	N[4](C[4]C[4]HH)2(CCO){2|H<1>}	O(CN[4]C)	121.0270	1.008	2	121.0270	1.017	2	121.7402	1.363	5	121.7402	1.363	5	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:4:1:	4:4:3:	3:	N[4]-3:C-4:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(CCHN)(O)	N[4](C[4]C[4]CC)(C[4]C[4]HH)(CCO)	O(CN[4]C)	C(N[4]C[4]2)(CCHN)(O)	N[4](C[4]C[4]CC)(C[4]C[4]HH)(CCO){2|H<1>}	O(CN[4]C)	122.9350	0.000	1	122.9350	0.000	1	121.7402	1.363	5	121.7402	1.363	5	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	3:4:1:	4:4:3:	3:	N[4]-3:C-4:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(CC[6a]CO)(O)	N[4](C[4]C[4]SnH)(C[4]C[4]HH)(CCO)	O(CN[4]C)	C(N[4]C[4]2)(CC[6a]CO)(O)	N[4](C[4]C[4]SnH)(C[4]C[4]HH)(CCO){2|H<1>}	O(CN[4]C)	121.8560	1.401	2	121.8560	1.964	2	121.7402	1.363	5	121.7402	1.363	5	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP2	C	N[4]	O	4:3:1:	4:4:3:	3:	C[4]-4:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(C[4]C[6a]C[4]N[4])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(CC[4]O)	O(CC[4]N[4])	C(C[4]C[6a]C[4]N[4])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(CC[4]O){2|C<3>,2|H<1>}	O(CC[4]N[4])	123.0380	0.899	2	123.0380	0.809	2	123.0380	0.809	2	123.0380	0.809	2	122.3183	3.790	33	122.3183	3.790	33
930	74	863	0:SP2_SP2_SP3	C	N[4,6]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[4,6]-3:O-1:	C[4,6,6]-4:C[4,6,6]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[4,6]C[4,6,6]2)(O)	N[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(CC[6a]O)	O(CN[4,6]C[6a])	C(C[6a]C[6a]N[6a])(N[4,6]C[4,6,6]2)(O)	N[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(CC[6a]O){1|C<4>,6|H<1>}	O(CN[4,6]C[6a])	120.5570	0.000	1	120.5570	0.000	1	120.5570	0.000	1	120.5570	0.000	1	120.5570	0.000	1	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	3:3:3:	3:	N[4]-3:O-2:O-1:	C[4]-3:N[4]-3:C-3:	C-3:	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]C)(N[4]C[4]C)(COO)	O(CN[4]O)	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]C)(N[4]C[4]C)(COO){2|H<1>}	O(CN[4]O)	124.7180	0.000	1	124.7180	0.000	1	124.7180	0.000	1	124.7180	0.000	1	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[3,4]-4:N[4]-3:C-3:	C-3:	C(N[4]C[3,4]N[4])(OC)(O)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	O(CN[4]O)	C(N[4]C[3,4]N[4])(OC)(O)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|Cl<1>,4|H<1>}	O(CN[4]O)	123.1940	0.000	1	121.6590	4.712	2	121.6590	4.712	2	123.2721	4.754	8	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[3,4]-4:N[4]-3:C-3:	C-3:	C(N[4]C[3,4]N[4])(OC)(O)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	O(CN[4]O)	C(N[4]C[3,4]N[4])(OC)(O)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|F<1>,4|H<1>}	O(CN[4]O)	120.1240	0.000	1	121.6590	4.712	2	121.6590	4.712	2	123.2721	4.754	8	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:N[4]-3:C-3:	C-3:	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[3,4]HH)(N[4]C[3,4]C)(COO)	O(CN[4]O)	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[3,4]HH)(N[4]C[3,4]C)(COO){2|C<4>}	O(CN[4]O)	124.1365	0.080	2	124.1365	0.006	2	123.8098	4.325	6	123.2721	4.754	8	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:N[4]-3:C-3:	C-3:	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]HH)(N[4]C[4]C)(COO)	O(CN[4]O)	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]HH)(N[4]C[4]C)(COO){1|C<3>}	O(CN[4]O)	121.7370	0.000	1	121.7370	0.000	1	123.8098	4.325	6	123.2721	4.754	8	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:N[4]-3:C-3:	C-3:	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]HH)(N[4]C[4]S)(COO)	O(CN[4]O)	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]HH)(N[4]C[4]S)(COO){1|C<3>,1|H<1>}	O(CN[4]O)	124.2830	2.867	3	124.2830	8.219	3	123.8098	4.325	6	123.2721	4.754	8	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,5]HH)2(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,5]HH)2(COO){1|C<3>,1|N<3>}	O(CN[4]O)	123.3870	0.000	1	123.3870	0.000	1	123.4857	0.009	3	123.4857	0.009	3	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]HH)(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]HH)(COO){1|C<3>,1|N<3>}	O(CN[4]O)	123.5800	0.000	1	123.5800	0.000	1	123.4857	0.009	3	123.4857	0.009	3	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:4:3:	3:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(COO)	O(CN[4]O)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(COO){2|C<3>,2|H<1>}	O(CN[4]O)	123.4900	0.000	1	123.4900	0.000	1	123.4857	0.009	3	123.4857	0.009	3	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]HH)2(CC[6a]O)	O(CC[6a]N[4])	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[4]HH)2(CC[6a]O){2|N<3>}	O(CC[6a]N[4])	119.2250	0.000	1	119.2250	0.000	1	120.7758	2.312	5	120.7758	2.312	5	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]O)	O(CC[6a]N[4])	C(C[6a]C[6a]2)(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|O<2>}	O(CC[6a]N[4])	120.4865	1.907	2	120.4865	3.637	2	120.7758	2.312	5	120.7758	2.312	5	122.6606	4.348	17	122.5438	4.338	18
930	74	863	0:SP2_SP2_SP3	C	N[4]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[4]-3:O-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O)	O(CC[6a]N[4])	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]CH)(CC[6a]O){2|C<3>,2|H<1>}	O(CC[6a]N[4])	121.8405	0.878	2	121.8405	0.770	2	120.7758	2.312	5	120.7758	2.312	5	122.6606	4.348	17	122.5438	4.338	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[4,5]-4:C[4]-3:C-3:	C-3:C-4:	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CN[4]O)(CC3)	106.7330	0.000	1	107.3005	0.644	2	107.3005	0.644	2	109.3719	10.214	7	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[4,5]-4:C[4]-3:C-3:	C-3:C-4:	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O(CN[4]O)(CC3)	107.8680	0.000	1	107.3005	0.644	2	107.3005	0.644	2	109.3719	10.214	7	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[4,6]-4:C[4]-3:C-3:	C-3:C-4:	C(N[4]C[4,6]C[4])(OC)(O)	N[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]O)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4,6]C[4])(OC)(O)	N[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]O)(COO){1|O<2>,2|C<4>,2|H<1>}	O(CN[4]O)(CC3)	108.4860	1.096	3	108.4860	1.202	3	108.4860	1.202	3	109.3719	10.214	7	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-3:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]C)(COO)	O(CN[4]O)(CCHH)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]C)(COO){1|C<4>,1|H<1>,2|C<3>}	O(CN[4]O)(CCHH)	116.2490	0.000	1	116.2490	0.000	1	112.7720	24.179	2	109.3719	10.214	7	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-3:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(COO){1|C<4>,3|C<3>}	O(CN[4]O)(CC3)	109.2950	0.000	1	109.2950	0.000	1	112.7720	24.179	2	109.3719	10.214	7	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4,5]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]HH)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4,5]C[4])(OC)(O)	N[4](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]HH)(COO){1|C<4>,1|H<1>,1|N<3>}	O(CN[4]O)(CC3)	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	109.9314	0.996	11	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4,6]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4,6]C[4])(OC)(O)	N[4](C[4,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4,6]C[4])(OC)(O)	N[4](C[4,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(COO){1|C<4>,1|H<1>,2|C<3>}	O(CN[4]O)(CC3)	110.6380	0.000	1	110.6380	0.000	1	110.6380	0.000	1	109.9314	0.996	11	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,4]HH)2(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,4]HH)2(COO){2|C<4>}	O(CN[4]O)(CC3)	111.4440	0.000	1	111.4440	0.000	1	109.8698	1.175	9	109.9314	0.996	11	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,5]HH)2(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,5]HH)2(COO){2|C<4>}	O(CN[4]O)(CC3)	109.2295	0.149	2	109.2295	0.022	2	109.8698	1.175	9	109.9314	0.996	11	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]CC)(C[4]C[4]HH)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]CC)(C[4]C[4]HH)(COO){2|H<1>}	O(CN[4]O)(CC3)	111.0290	0.000	1	111.0290	0.000	1	109.8698	1.175	9	109.9314	0.996	11	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]HH)2(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]HH)2(COO){1|C<4>,1|H<1>}	O(CN[4]O)(CC3)	109.4285	0.738	2	109.6363	0.402	3	109.8698	1.175	9	109.9314	0.996	11	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]HH)2(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4]HH)2(COO){1|H<1>,1|N<3>}	O(CN[4]O)(CC3)	110.0520	0.000	1	109.6363	0.402	3	109.8698	1.175	9	109.9314	0.996	11	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP2	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(COO){2|C<3>,2|H<1>}	O(CN[4]O)(CC3)	109.4935	1.867	2	109.4935	3.487	2	109.8698	1.175	9	109.9314	0.996	11	109.7138	4.270	18	109.7138	4.270	18
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	3:3:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-3:N[4]-3:C-3:	C-3:C-4:	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]C)(N[4]C[4]C)(COO)	O(CN[4]O)(CCHH)	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]C)(N[4]C[4]C)(COO){2|H<1>}	O(CN[4]O)(CCHH)	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	109.2952	2.551	12	109.2952	2.551	12
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[3,4]-4:N[4]-3:C-3:	C-3:C-4:	C(N[4]C[3,4]N[4])(OC)(O)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	O(CN[4]O)(CC3)	C(N[4]C[3,4]N[4])(OC)(O)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|Cl<1>,4|H<1>}	O(CN[4]O)(CC3)	108.2880	0.000	1	109.9515	5.534	2	109.9515	5.534	2	109.2998	3.288	5	109.2952	2.551	12	109.2952	2.551	12
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[3,4]-4:N[4]-3:C-3:	C-3:C-4:	C(N[4]C[3,4]N[4])(OC)(O)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	O(CN[4]O)(CC3)	C(N[4]C[3,4]N[4])(OC)(O)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|F<1>,4|H<1>}	O(CN[4]O)(CC3)	111.6150	0.000	1	109.9515	5.534	2	109.9515	5.534	2	109.2998	3.288	5	109.2952	2.551	12	109.2952	2.551	12
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:N[4]-3:C-3:	C-3:C-4:	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[3,4]HH)(N[4]C[3,4]C)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[3,4]HH)(N[4]C[3,4]C)(COO){2|C<4>}	O(CN[4]O)(CC3)	107.8505	0.152	2	107.8505	0.023	2	108.8653	3.101	3	109.2998	3.288	5	109.2952	2.551	12	109.2952	2.551	12
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:N[4]-3:C-3:	C-3:C-4:	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]HH)(N[4]C[4]C)(COO)	O(CN[4]O)(CCHH)	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]HH)(N[4]C[4]C)(COO){1|C<3>}	O(CN[4]O)(CCHH)	110.8950	0.000	1	110.8950	0.000	1	108.8653	3.101	3	109.2998	3.288	5	109.2952	2.551	12	109.2952	2.551	12
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:3:3:	4:3:	N[4]-3:O-2:O-1:	C[4]-4:N[4]-3:C-3:	C-4:C-3:	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]HH)(N[4]C[4]S)(COO)	O(CC[6a]HH)(CN[4]O)	C(N[4]C[4]N[4])(OC)(O)	N[4](C[4]C[4]HH)(N[4]C[4]S)(COO){1|C<3>,1|H<1>}	O(CC[6a]HH)(CN[4]O)	108.8320	2.301	3	108.8320	5.296	3	108.8320	5.296	3	108.8320	5.296	3	109.2952	2.551	12	109.2952	2.551	12
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,5]HH)2(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,5]HH)2(COO){1|C<3>,1|N<3>}	O(CN[4]O)(CC3)	109.8810	0.000	1	109.8810	0.000	1	109.9853	0.876	3	109.9853	0.876	3	109.2952	2.551	12	109.2952	2.551	12
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]HH)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]HH)(COO){1|C<3>,1|N<3>}	O(CN[4]O)(CC3)	110.9690	0.000	1	110.9690	0.000	1	109.9853	0.876	3	109.9853	0.876	3	109.2952	2.551	12	109.2952	2.551	12
930	74	893	0:SP2_SP2_SP3	C	N[4]	O	3:2:1:	4:4:3:	3:4:	N[4]-3:O-2:O-1:	C[4]-4:C[4]-4:C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(COO)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(COO){2|C<3>,2|H<1>}	O(CN[4]O)(CC3)	109.1060	0.000	1	109.1060	0.000	1	109.9853	0.876	3	109.9853	0.876	3	109.2952	2.551	12	109.2952	2.551	12
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:2:1:	N[4]-3:C-3:C-3:	C[4,5]-4:C[4]-3:C-3:	C-3:O-2:O-1:	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCC)	C(CN[4]C)(OC)(O)	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCC){1|N<3>,2|H<1>,3|C<3>}	C(CN[4]C)(OC)(O)	113.0110	0.000	1	113.0110	0.000	1	114.8730	6.934	2	115.9993	4.631	4	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:2:1:	N[4]-3:C-3:C-3:	C[4,5]-4:C[4]-3:C-3:	C-3:O-2:O-1:	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	N[4](C[4,5]C[4,5]S[5]H)(C[4]C[4,5]O)(CCC)	C(CN[4]C)(OC)(O)	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	N[4](C[4,5]C[4,5]S[5]H)(C[4]C[4,5]O)(CCC){1|C<3>,1|H<1>,1|N<2>}	C(CN[4]C)(OC)(O)	116.7350	0.000	1	116.7350	0.000	1	114.8730	6.934	2	115.9993	4.631	4	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:2:1:	N[4]-3:C-3:C-3:	C[4]-4:C[4]-3:C-3:	C-3:O-2:O-1:	C(N[4]C[4]2)(CCC)(COO)	N[4](C[4]C[4]HS)(C[4]C[4]O)(CCC)	C(CN[4]C)(OC)(O)	C(N[4]C[4]2)(CCC)(COO)	N[4](C[4]C[4]HS)(C[4]C[4]O)(CCC){2|H<1>}	C(CN[4]C)(OC)(O)	116.1550	0.000	1	116.1550	0.000	1	117.1255	1.884	2	115.9993	4.631	4	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:2:1:	N[4]-3:C-3:C-3:	C[4]-4:C[4]-3:C-3:	C-3:O-2:O-1:	C(N[4]C[4]2)(CCO)(COO)	N[4](C[4]C[4]HN)(C[4]C[4]O)(CCC)	C(CN[4]C)(OC)(O)	C(N[4]C[4]2)(CCO)(COO)	N[4](C[4]C[4]HN)(C[4]C[4]O)(CCC){2|H<1>}	C(CN[4]C)(OC)(O)	118.0960	0.000	1	118.0960	0.000	1	117.1255	1.884	2	115.9993	4.631	4	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[4]-3:C-3:	C[4]-4:C[4]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CBrC)	N[4](C[4]C[4,5]CC)(C[4]C[4,5]O)(CC[6a]C)	C(CC[6a]N[4])(COO)(Br)	C(C[6a]C[6a]2)(N[4]C[4]2)(CBrC)	N[4](C[4]C[4,5]CC)(C[4]C[4,5]O)(CC[6a]C){1|C<3>,1|O<2>}	C(CC[6a]N[4])(COO)(Br)	120.0270	0.612	4	120.0270	0.375	4	120.0270	0.375	4	121.4488	5.081	6	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C-3:C-3:	C[4,5]-4:C[4]-3:C-3:	C[5a]-3:C-3:H-1:	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCC)	C(C[5a]C[5a]N[5a])(CN[4]C)(H)	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCC){1|N<3>,2|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(CN[4]C)(H)	124.3980	0.000	1	124.3980	0.000	1	124.3980	0.000	1	121.4488	5.081	6	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C-3:	C[4,6]-4:C[4]-3:C-3:	C-3:C-3:Br-1:	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(CBrC)	N[4](C[4,6]C[4,5]C[6]2)(C[4]C[4,5]O)(CC[6a]C)	C(CC[6a]N[4])(COO)(Br)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(CBrC)	N[4](C[4,6]C[4,5]C[6]2)(C[4]C[4,5]O)(CC[6a]C){1|C<3>,2|O<1>,3|O<2>}	C(CC[6a]N[4])(COO)(Br)	124.1870	0.000	1	124.1870	0.000	1	124.1870	0.000	1	121.4488	5.081	6	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C-3:C-3:	C[4,5]-4:C[4]-3:C-3:	N[6]-3:C-3:C-4:	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	N[4](C[4,5]C[4,5]S[5]H)(C[4]C[4,5]O)(CCC)	C(N[6]C[6]2)(CN[4]C)(CH3)	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	N[4](C[4,5]C[4,5]S[5]H)(C[4]C[4,5]O)(CCC){1|C<3>,1|H<1>,1|N<2>}	C(N[6]C[6]2)(CN[4]C)(CH3)	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:4:1:	N[4]-3:C-3:C-3:	C[4]-4:C[4]-3:C-3:	C-3:C-4:O-1:	C(N[4]C[4]2)(CCO)(COO)	N[4](C[4]C[4]HN)(C[4]C[4]O)(CCC)	C(CN[4]C)(CCHH)(O)	C(N[4]C[4]2)(CCO)(COO)	N[4](C[4]C[4]HN)(C[4]C[4]O)(CCC){2|H<1>}	C(CN[4]C)(CCHH)(O)	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1	119.0996	9.590	13	119.0996	9.590	13
930	74	930	0:SP2_SP2_SP2	C	N[4]	C	3:3:3:	4:3:3:	3:4:4:	N[4]-3:C-3:C-3:	C[4]-4:C[4]-3:C-3:	C-3:C-4:C-4:	C(N[4]C[4]2)(CCC)(COO)	N[4](C[4]C[4]HS)(C[4]C[4]O)(CCC)	C(CN[4]C)(CH3)2	C(N[4]C[4]2)(CCC)(COO)	N[4](C[4]C[4]HS)(C[4]C[4]O)(CCC){2|H<1>}	C(CN[4]C)(CH3)2	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	119.0996	9.590	13	119.0996	9.590	13
930	74	956	0:SP2_SP2_SP2	C	N[4]	N	3:3:3:	4:4:3:	3:4:1:	C[6a]-3:N[4]-3:N-3:	Ga[4]-4:Ga[4]-4:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(N[4]Ga[4]2)(NCH)	N[4](Ga[4]N[4]CC)2(CC[6a]N)	N(CC[6a]N[4])(CC3)(H)	C(C[6a]C[6a]2)(N[4]Ga[4]2)(NCH)	N[4](Ga[4]N[4]CC)2(CC[6a]N){1|C<3>}	N(CC[6a]N[4])(CC3)(H)	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1
930	74	977	0:SP2_SP-NON_SP2	C	N[4]	S	3:4:1:	4:4:3:	3:	N[4]-3:C-4:S-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(CC3)(S)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCS)	S(CN[4]C)	C(N[4]C[4]2)(CC3)(S)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCS){1|H<1>,1|O<2>}	S(CN[4]C)	120.0205	0.032	2	118.9910	1.500	7	118.9910	1.500	7	118.9910	1.500	7	118.9910	1.500	7	118.9910	1.500	7
930	74	977	0:SP2_SP-NON_SP2	C	N[4]	S	3:4:1:	4:4:3:	3:	N[4]-3:C-4:S-1:	C[4]-4:C[4]-4:C-3:	C-3:	C(N[4]C[4]2)(CC3)(S)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCS)	S(CN[4]C)	C(N[4]C[4]2)(CC3)(S)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCS){2|H<1>}	S(CN[4]C)	118.5792	1.228	5	118.9910	1.500	7	118.9910	1.500	7	118.9910	1.500	7	118.9910	1.500	7	118.9910	1.500	7
930	138	490	0:SP2_SP2_SP3	C	N[3]	C	3:2:4:	4:4:3:	3:1:1:1:	N[3]-3:N-2:C-4:	C[3]-4:C[3]-4:C-3:	C-3:F-1:F-1:F-1:	C(N[3]C[3]2)(NC[6a])(CF3)	N[3](C[3]C[3]HH)2(CCN)	C(CN[3]N)(F)3	C(N[3]C[3]2)(NC[6a])(CF3)	N[3](C[3]C[3]HH)2(CCN)	C(CN[3]N)(F)3	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1
930	138	490	0:SP2_SP3_SP3	C	N[3]	C	3:2:4:	4:4:3:	3:1:1:1:	N[3]-3:N-2:C-4:	C[3]-4:C[3]-4:C-3:	C-3:F-1:F-1:F-1:	C(N[3]C[3]2)(NC[6a])(CF3)	N[3](C[3]C[3]HH)2(CCN)	C(CN[3]N)(F)3	C(N[3]C[3]2)(NC[6a])(CF3)	N[3](C[3]C[3]HH)2(CCN)	C(CN[3]N)(F)3	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	114.0565	3.973	2	114.0565	3.973	2
930	138	490	0:SP2_SP3_SP3	C	N[3]	C	3:4:1:	4:4:3:	3:3:4:1:	N[3]-3:C-4:O-1:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C-3:C-4:H-1:	C(N[3]C[3]2)(CC[6a]CH)(O)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO)	C(C[6a]C[6a]2)(CN[3]O)(CH3)(H)	C(N[3]C[3]2)(CC[6a]CH)(O)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO){2|C<3>}	C(C[6a]C[6a]2)(CN[3]O)(CH3)(H)	115.4660	0.000	1	115.4660	0.000	1	115.4660	0.000	1	115.4660	0.000	1	114.0565	3.973	2	114.0565	3.973	2
930	138	643	0:SP2_SP2_SP3	C	N[3]	C[6a]	3:3:1:	4:4:3:	3:3:3:	C[6a]-3:N[3]-3:O-1:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[3]C[3]2)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[3]O)	C(C[6a]C[6a]2)(N[3]C[3]2)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[3]O){1|C<3>,2|H<1>}	116.2510	0.000	1	116.2510	0.000	1	116.2510	0.000	1	116.2510	0.000	1	116.2510	0.000	1	116.2510	0.000	1
930	138	863	0:SP2_SP2_SP2	C	N[3]	O	3:2:1:	4:4:3:	3:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-3:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)	O(CN[3]O)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO){2|C<3>}	O(CN[3]O)	123.5410	0.000	1	123.5410	0.000	1	123.5775	0.003	2	123.5775	0.003	2	123.5775	0.003	2	123.5775	0.003	2
930	138	863	0:SP2_SP2_SP2	C	N[3]	O	3:2:1:	4:4:3:	3:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-3:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)	O(CN[3]O)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO){2|C<3>}	O(CN[3]O)	123.6140	0.000	1	123.6140	0.000	1	123.5775	0.003	2	123.5775	0.003	2	123.5775	0.003	2	123.5775	0.003	2
930	138	863	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	3:	N[3]-3:O-2:O-1:	C[3,5]-4:C[3]-4:C-3:	C-3:	C(N[3]C[3,5]C[3])(OC)(O)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)	O(CN[3]O)	C(N[3]C[3,5]C[3])(OC)(O)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO){1|N<3>,1|O<1>,2|C<3>}	O(CN[3]O)	123.2885	0.080	2	123.2885	0.006	2	123.2885	0.006	2	123.4545	0.892	6	122.8769	1.489	9	122.8769	1.489	9
930	138	863	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	3:	N[3]-3:O-2:O-1:	C[3]-4:C[3,5]-4:C-3:	C-3:	C(N[3]C[3,5]C[3])(OC)(O)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO)	O(CN[3]O)	C(N[3]C[3,5]C[3])(OC)(O)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO){1|N<3>,2|H<1>,4|C<3>}	O(CN[3]O)	123.6710	0.000	1	123.6710	0.000	1	123.6710	0.000	1	123.4545	0.892	6	122.8769	1.489	9	122.8769	1.489	9
930	138	863	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	3:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-3:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	O(CN[3]O)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	O(CN[3]O)	121.8300	0.000	1	121.8300	0.000	1	123.4930	2.174	3	123.4545	0.892	6	122.8769	1.489	9	122.8769	1.489	9
930	138	863	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	3:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-3:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CH)2(COO)	O(CN[3]O)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CH)2(COO)	O(CN[3]O)	124.3245	0.448	2	124.3245	0.200	2	123.4930	2.174	3	123.4545	0.892	6	122.8769	1.489	9	122.8769	1.489	9
930	138	863	0:SP2_SP2_SP3	C	N[3]	O	3:3:1:	4:4:3:	3:	C[6a]-3:N[3]-3:O-1:	C[3]-4:C[3]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[3]C[3]2)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)	O(CC[6a]N[3])	C(C[6a]C[6a]2)(N[3]C[3]2)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O){2|C<3>}	O(CC[6a]N[3])	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	122.0385	0.846	2	122.8769	1.489	9	122.8769	1.489	9
930	138	863	0:SP2_SP2_SP3	C	N[3]	O	3:3:1:	4:4:3:	3:	N[3]-3:N-3:O-1:	C[3]-4:C[3]-4:C-3:	C-3:	C(N[3]C[3]2)(NCH)(O)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	O(CN[3]N)	C(N[3]C[3]2)(NCH)(O)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	O(CN[3]N)	122.6890	0.000	1	122.6890	0.000	1	122.6890	0.000	1	122.0385	0.846	2	122.8769	1.489	9	122.8769	1.489	9
930	138	863	0:SP2_SP2_SP3	C	N[3]	O	3:4:1:	4:4:3:	3:	N[3]-3:C-4:O-1:	C[3]-4:C[3]-4:C-3:	C-3:	C(N[3]C[3]2)(CC[6a]CH)(O)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO)	O(CN[3]C)	C(N[3]C[3]2)(CC[6a]CH)(O)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO){2|C<3>}	O(CN[3]C)	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	122.8769	1.489	9	122.8769	1.489	9
930	138	893	0:SP2_SP2_SP2	C	N[3]	O	3:2:1:	4:4:3:	3:4:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-3:C-4:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)	O(CN[3]O)(CC3)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO){2|C<3>}	O(CN[3]O)(CC3)	108.1680	0.000	1	108.1680	0.000	1	108.2525	0.014	2	108.2525	0.014	2	108.2525	0.014	2	108.2525	0.014	2
930	138	893	0:SP2_SP2_SP2	C	N[3]	O	3:2:1:	4:4:3:	3:4:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-3:C-4:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)	O(CN[3]O)(CC3)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO){2|C<3>}	O(CN[3]O)(CC3)	108.3370	0.000	1	108.3370	0.000	1	108.2525	0.014	2	108.2525	0.014	2	108.2525	0.014	2	108.2525	0.014	2
930	138	893	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	3:4:	N[3]-3:O-2:O-1:	C[3]-4:C[3,5]-4:C-3:	C-3:C-4:	C(N[3]C[3,5]C[3])(OC)(O)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO)	O(CN[3]O)(CC3)	C(N[3]C[3,5]C[3])(OC)(O)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO){1|N<3>,2|H<1>,4|C<3>}	O(CN[3]O)(CC3)	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	109.4313	0.571	3	109.5000	0.698	6	109.5000	0.698	6
930	138	893	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	3:4:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-3:C-4:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	O(CN[3]O)(CC3)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	O(CN[3]O)(CC3)	109.0570	0.000	1	109.0570	0.000	1	109.6790	0.774	2	109.4313	0.571	3	109.5000	0.698	6	109.5000	0.698	6
930	138	893	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	3:4:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-3:C-4:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CH)2(COO)	O(CN[3]O)(CH3)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CH)2(COO)	O(CN[3]O)(CH3)	110.3010	0.000	1	110.3010	0.000	1	109.6790	0.774	2	109.4313	0.571	3	109.5000	0.698	6	109.5000	0.698	6
930	138	893	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	4:3:	N[3]-3:O-2:O-1:	C[3,5]-4:C[3]-4:C-3:	C-4:C-3:	C(N[3]C[3,5]C[3])(OC)(O)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)	O(CC[6a]HH)(CN[3]O)	C(N[3]C[3,5]C[3])(OC)(O)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO){1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]HH)(CN[3]O)	110.1350	0.629	2	110.1350	0.396	2	110.1350	0.396	2	109.5687	1.160	3	109.5000	0.698	6	109.5000	0.698	6
930	138	893	0:SP2_SP2_SP3	C	N[3]	O	3:2:1:	4:4:3:	4:3:	N[3]-3:O-2:O-1:	C[3]-4:C[3]-4:C-3:	C-4:C-3:	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CH)2(COO)	O(CC[6a]HH)(CN[3]O)	C(N[3]C[3]2)(OC)(O)	N[3](C[3]C[3]CH)2(COO)	O(CC[6a]HH)(CN[3]O)	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	109.5687	1.160	3	109.5000	0.698	6	109.5000	0.698	6
930	138	930	0:SP2_SP2_SP3	C	N[3]	C	3:3:1:	4:4:3:	3:3:3:	N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[3]C[3]2)(CC[6a]2)(H)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH)	C(C[6a]C[6a]2)2(CN[3]H)	C(N[3]C[3]2)(CC[6a]2)(H)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH){6|C<3>}	C(C[6a]C[6a]2)2(CN[3]H)	127.8790	0.000	1	127.8790	0.000	1	127.8790	0.000	1	127.8790	0.000	1	127.8790	0.000	1	127.8790	0.000	1
930	138	941	0:SP2_SP2_SP2	C	N[3]	N	3:2:4:	4:4:3:	3:3:	N[3]-3:N-2:C-4:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C-3:	C(N[3]C[3]2)(NC[6a])(CF3)	N[3](C[3]C[3]HH)2(CCN)	N(C[6a]C[6a]2)(CN[3]C)	C(N[3]C[3]2)(NC[6a])(CF3)	N[3](C[3]C[3]HH)2(CCN)	N(C[6a]C[6a]2)(CN[3]C)	130.4380	0.000	1	130.4380	0.000	1	130.4380	0.000	1	130.4380	0.000	1	130.4380	0.000	1	130.4380	0.000	1
930	138	941	0:SP2_SP2_SP3	C	N[3]	N	3:2:4:	4:4:3:	3:3:	N[3]-3:N-2:C-4:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C-3:	C(N[3]C[3]2)(NC[6a])(CF3)	N[3](C[3]C[3]HH)2(CCN)	N(C[6a]C[6a]2)(CN[3]C)	C(N[3]C[3]2)(NC[6a])(CF3)	N[3](C[3]C[3]HH)2(CCN)	N(C[6a]C[6a]2)(CN[3]C)	131.4360	0.000	1	131.4360	0.000	1	131.4360	0.000	1	131.4360	0.000	1	131.4360	0.000	1	131.4360	0.000	1
930	138	951	0:SP2_SP-NON_SP3	C	N[3]	H	3:3:1:	4:4:3:	3:	N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C-3:	C(N[3]C[3]2)(CC[6a]2)(H)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH)	H(CN[3]C)	C(N[3]C[3]2)(CC[6a]2)(H)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH){6|C<3>}	H(CN[3]C)	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1
930	138	956	0:SP2_SP2_SP3	C	N[3]	N	3:3:1:	4:4:3:	4:3:1:	N[3]-3:N-3:O-1:	C[3]-4:C[3]-4:C-3:	C-4:C-3:H-1:	C(N[3]C[3]2)(NCH)(O)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	N(CC[6a]CH)(CN[3]O)(H)	C(N[3]C[3]2)(NCH)(O)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	N(CC[6a]CH)(CN[3]O)(H)	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1
930	170	863	0:SP2_SP2_SPD7	C	C	O	7:2:1:	3:1:1:1:1:1:1:	3:	C-7:O-2:O-1:	C-3:H-1:H-1:H-1:H-1:H-1:H-1:	C-3:	C(CH6)(OH)(O)	C(COO)(H)6	O(CCO)	C(CH6)(OH)(O)	C(COO)(H)6	O(CCO)	124.3490	0.000	1	124.3490	0.000	1	124.3490	0.000	1	124.3490	0.000	1	123.4105	1.762	2	123.4105	1.762	2
930	170	863	0:SP2_SP2_SPD7	C	C	O	7:3:1:	3:1:1:1:1:1:1:	3:	C-7:C-3:O-1:	C-3:H-1:H-1:H-1:H-1:H-1:H-1:	C-3:	C(CH6)(CCN)(O)	C(CCO)(H)6	O(CCC)	C(CH6)(CCN)(O)	C(CCO)(H)6	O(CCC)	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	123.4105	1.762	2	123.4105	1.762	2
930	170	893	0:SP2_SP2_SPD7	C	C	O	7:2:1:	3:1:1:1:1:1:1:	3:1:	C-7:O-2:O-1:	C-3:H-1:H-1:H-1:H-1:H-1:H-1:	C-3:H-1:	C(CH6)(OH)(O)	C(COO)(H)6	O(CCO)(H)	C(CH6)(OH)(O)	C(COO)(H)6	O(CCO)(H)	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1
930	170	930	0:SP2_SP2_SPD7	C	C	C	7:3:1:	3:1:1:1:1:1:1:	2:3:3:	C-7:C-3:O-1:	C-3:H-1:H-1:H-1:H-1:H-1:H-1:	N-2:C-3:C-3:	C(CH6)(CCN)(O)	C(CCO)(H)6	C(NC[6a])(CCO)(CNO)	C(CH6)(CCN)(O)	C(CCO)(H)6	C(NC[6a])(CCO)(CNO)	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1
930	210	490	0:SP2_SP1_SP3	C	Ge	C	3:4:2:	3:1:	3:4:1:1:	C-3:C-4:Ge-2:	C-3:Br-1:	C-3:C-4:H-1:H-1:	C(CC[6a]C)(CCHH)(GeBr)	Ge(CCC)(Br)	C(CGeC)(CH3)(H)2	C(CC[6a]C)(CCHH)(GeBr)	Ge(CCC)(Br)	C(CGeC)(CH3)(H)2	124.6900	0.000	1	124.6900	0.000	1	124.6900	0.000	1	124.6900	0.000	1	124.6900	0.000	1	124.6900	0.000	1
930	210	643	0:SP2_SP1_SP2	C	Ge	C[6a]	3:3:2:	3:3:	3:3:3:	C-3:C[6a]-3:Ge-2:	C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	Ge(CC[6a]C)(NSi2)	C[6a](C[6a]C[6a]H)2(CGeC)	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	Ge(CC[6a]C)(NSi2)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1
930	210	880	0:SP2_SP1_SP3	C	Ge	Si	4:3:2:	3:3:	3:4:4:4:	Si-4:C-3:Ge-2:	N-3:C-3:	C-3:C-4:C-4:C-4:	C(SiC3)(CGeC)(GeN)	Ge(NC[6a]Si)(CSiC)	Si(CGeC)(CH3)3	C(SiC3)(CGeC)(GeN)	Ge(NC[6a]Si)(CSiC)	Si(CGeC)(CH3)3	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1
930	210	930	0:SP2_SP1_SP2	C	Ge	C	3:2:2:	3:3:	4:3:2:	C-3:Ge-2:C-2:	N-3:C-3:	Si-4:C-3:Ge-2:	C(CGeSi)(GeN)(CC)	Ge(NC[6a]Si)(CCC)	C(SiC3)(CGeC)(GeN)	C(CGeSi)(GeN)(CC)	Ge(NC[6a]Si)(CCC)	C(SiC3)(CGeC)(GeN)	106.0230	0.000	1	106.0230	0.000	1	106.0230	0.000	1	106.0230	0.000	1	112.4133	22.876	4	112.4133	22.876	4
930	210	930	0:SP2_SP1_SP2	C	Ge	C	3:3:2:	3:3:	3:3:3:	C-3:C[6a]-3:Ge-2:	C-3:N-3:	B[5a]-3:C[6a]-3:C-3:	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	Ge(CC[6a]C)(NSi2)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	Ge(CC[6a]C)(NSi2)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	114.8060	0.000	1	114.8060	0.000	1	114.8060	0.000	1	114.8060	0.000	1	112.4133	22.876	4	112.4133	22.876	4
930	210	930	0:SP2_SP1_SP2	C	Ge	C	3:4:2:	3:1:	3:4:3:	C-3:C-4:Ge-2:	C-3:Br-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(CCHH)(GeBr)	Ge(CCC)(Br)	C(C[6a]C[6a]2)(CCHH)(CGeC)	C(CC[6a]C)(CCHH)(GeBr)	Ge(CCC)(Br)	C(C[6a]C[6a]2)(CCHH)(CGeC)	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	112.4133	22.876	4	112.4133	22.876	4
930	210	930	0:SP2_SP1_SP2	C	Ge	C	4:3:2:	3:3:	3:2:2:	Si-4:C-3:Ge-2:	N-3:C-3:	C-3:Ge-2:C-2:	C(SiC3)(CGeC)(GeN)	Ge(NC[6a]Si)(CSiC)	C(CGeSi)(GeN)(CC)	C(SiC3)(CGeC)(GeN)	Ge(NC[6a]Si)(CSiC)	C(CGeSi)(GeN)(CC)	117.0650	0.000	1	117.0650	0.000	1	117.0650	0.000	1	117.0650	0.000	1	112.4133	22.876	4	112.4133	22.876	4
930	210	983	0:SP2_SP1_SP1	C	Ge	C	3:2:2:	3:3:	3:2:	C-3:Ge-2:C-2:	N-3:C-3:	C-3:C-2:	C(CGeSi)(GeN)(CC)	Ge(NC[6a]Si)(CCC)	C(CGeC)(CSi)	C(CGeSi)(GeN)(CC)	Ge(NC[6a]Si)(CCC)	C(CGeC)(CSi)	131.2660	0.000	1	131.2660	0.000	1	131.2660	0.000	1	131.2660	0.000	1	131.2660	0.000	1	131.2660	0.000	1
930	217	217	0:SP2_SP2_SP2	C	N[6a]	N[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[6a]C[6a]2)2(CC[6a]H)	N[6a](C[6a]C[6a]H)2(CN[6a]C)	N[6a](C[6a]C[6a]H)2(CN[6a]C)	C(N[6a]C[6a]2)2(CC[6a]H)	N[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	110.5088	2.222	5	110.5088	2.222	5	110.5088	2.222	5
930	217	217	0:SP2_SP2_SP2	C	N[6a]	N[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[6a]C[6a]2)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2)	C(N[6a]C[6a]2)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2){1|C<3>,2|H<1>}	109.8620	0.417	4	109.8620	0.174	4	109.8620	0.174	4	110.5088	2.222	5	110.5088	2.222	5	110.5088	2.222	5
930	217	490	0:SP2_SP2_SP3	C	N[6a]	C	3:4:1:	3:3:3:	3:4:1:1:	N[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	C(CN[6a]O)(CCCH)(H)2	C(N[6a]C[6a]2)(CCHH)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]O)(CCCH)(H)2	119.1880	0.000	1	119.1880	0.000	1	119.4703	0.085	3	119.4703	0.085	3	119.4703	0.085	3	119.4703	0.085	3
930	217	490	0:SP2_SP2_SP3	C	N[6a]	C	3:4:1:	3:3:3:	3:4:1:1:	N[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	C(CN[6a]O)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]O)(CCHH)(H)2	119.6115	0.223	2	119.6115	0.050	2	119.4703	0.085	3	119.4703	0.085	3	119.4703	0.085	3	119.4703	0.085	3
930	217	643	0:SP2_SP2_SP2	C	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]O){1|C<3>,2|H<1>}	116.7120	0.000	1	116.7120	0.000	1	115.9467	0.569	11	115.9467	0.569	11	115.8295	0.557	13	115.8295	0.557	13
930	217	643	0:SP2_SP2_SP2	C	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[6a]O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]O){1|C<3>,2|H<1>}	115.5346	0.829	5	115.8702	0.561	10	115.9467	0.569	11	115.9467	0.569	11	115.8295	0.557	13	115.8295	0.557	13
930	217	643	0:SP2_SP2_SP2	C	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[6a]O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]O){1|C<3>,2|H<1>}	116.3833	0.424	4	115.8702	0.561	10	115.9467	0.569	11	115.9467	0.569	11	115.8295	0.557	13	115.8295	0.557	13
930	217	643	0:SP2_SP2_SP2	C	N[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[6a]O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]O){1|C<3>,2|H<1>}	115.4960	0.000	1	115.8702	0.561	10	115.9467	0.569	11	115.9467	0.569	11	115.8295	0.557	13	115.8295	0.557	13
930	217	643	0:SP2_SP2_SP2	C	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CN[6a]C)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	115.2470	0.000	1	115.2470	0.000	1	115.2470	0.000	1	115.1845	0.008	2	115.8295	0.557	13	115.8295	0.557	13
930	217	643	0:SP2_SP2_SP2	C	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CN[6a]C)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	115.1220	0.000	1	115.1220	0.000	1	115.1220	0.000	1	115.1845	0.008	2	115.8295	0.557	13	115.8295	0.557	13
930	217	727	0:SP2_SP2_SP2	C	N[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]O)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]O){2|H<1>}	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1
930	217	762	0:SP2_SP2_SP2	C	N[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	N[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H){1|C<3>,1|C<4>,2|H<1>}	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(N[6a]C[6a,6a]2)(OC)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CN[6a]O)	C(N[6a]C[6a,6a]2)(OC)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CN[6a]O)	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1	123.2987	1.942	3	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a,6a]C[6a])(OC)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	O(CN[6a]O)	C(N[6a]C[6a,6a]C[6a])(OC)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	O(CN[6a]O)	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	123.2987	1.942	3	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a]2)(OC)(O)	N[6a](C[6a]C[6a,6a]O)2(COO)	O(CN[6a]O)	C(N[6a]C[6a]2)(OC)(O)	N[6a](C[6a]C[6a,6a]O)2(COO){3|C<3>}	O(CN[6a]O)	122.0110	0.000	1	122.0110	0.000	1	122.0110	0.000	1	123.2987	1.942	3	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:3:1:	3:2:3:	3:	N[6a]-3:N-3:O-1:	B[6a]-3:N[6a]-2:C-3:	C-3:	C(N[6a]B[6a]N[6a])(NHH)(O)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO)	O(CN[6a]N)	C(N[6a]B[6a]N[6a])(NHH)(O)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(CN[6a]N)	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	O(CC[5a]N[6a])	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	O(CC[5a]N[6a])	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	118.4323	1.030	12	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(CC[6a]N[6a])	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]N[6a])	119.2714	0.184	5	118.4107	1.127	11	118.4107	1.127	11	118.4323	1.030	12	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(CC[6a]N[6a])	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	O(CC[6a]N[6a])	117.9685	1.020	4	118.4107	1.127	11	118.4107	1.127	11	118.4323	1.030	12	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(CC[6a]N[6a])	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<2>}	O(CC[6a]N[6a])	116.7500	0.000	1	118.4107	1.127	11	118.4107	1.127	11	118.4323	1.030	12	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(CC[6a]N[6a])	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N[6a])	117.5370	0.000	1	118.4107	1.127	11	118.4107	1.127	11	118.4323	1.030	12	118.9603	4.940	19	118.9603	4.940	19
930	217	863	0:SP2_SP2_SP2	C	N[6a]	O	3:4:1:	3:3:3:	3:	N[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a]2)(CCHH)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	O(CN[6a]C)	C(N[6a]C[6a]2)(CCHH)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	O(CN[6a]C)	116.8137	0.071	3	116.8137	0.005	3	116.8137	0.005	3	116.8137	0.005	3	118.9603	4.940	19	118.9603	4.940	19
930	217	893	0:SP2_SP2_SP2	C	N[6a]	O	3:2:1:	3:3:3:	3:4:	N[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-4:	C(N[6a]C[6a,6a]2)(OC)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	O(CN[6a]O)(CC3)	C(N[6a]C[6a,6a]2)(OC)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CN[6a]O)(CC3)	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	109.4200	1.529	4	109.4200	1.529	4	109.4200	1.529	4
930	217	893	0:SP2_SP2_SP2	C	N[6a]	O	3:2:1:	3:3:3:	3:4:	N[6a]-3:O-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	O(CN[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(OC)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	O(CN[6a]O)(CCHH)	110.4825	0.016	2	110.4825	0.000	2	110.4825	0.000	2	109.4200	1.529	4	109.4200	1.529	4	109.4200	1.529	4
930	217	893	0:SP2_SP2_SP2	C	N[6a]	O	3:2:1:	3:3:3:	3:4:	N[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(N[6a]C[6a]2)(OC)(O)	N[6a](C[6a]C[6a,6a]O)2(COO)	O(CN[6a]O)(CC3)	C(N[6a]C[6a]2)(OC)(O)	N[6a](C[6a]C[6a,6a]O)2(COO){3|C<3>}	O(CN[6a]O)(CC3)	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	109.4200	1.529	4	109.4200	1.529	4	109.4200	1.529	4
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[6a]C[6a]2)(CC[6a]H)(H)	N[6a](C[6a]N[6a]O)2(CCH)	C(C[6a]C[6a]2)(CN[6a]H)(H)	C(N[6a]C[6a]2)(CC[6a]H)(H)	N[6a](C[6a]N[6a]O)2(CCH){3|C<3>}	C(C[6a]C[6a]2)(CN[6a]H)(H)	127.7637	4.158	3	127.7637	17.292	3	127.7637	17.292	3	127.7637	17.292	3	123.3497	17.081	15	123.3497	17.081	15
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5]-3:C[6a]-3:C-3:	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	125.4290	0.265	2	123.3497	17.081	15	123.3497	17.081	15
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5a]-3:C[6a]-3:C-3:	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[6a]H)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[6a]H)	125.7930	0.000	1	125.7930	0.000	1	125.7930	0.000	1	125.4290	0.265	2	123.3497	17.081	15	123.3497	17.081	15
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:1:	3:3:3:	4:3:1:	N[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(N[6a]C[6a]2)(CC[5]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH)	C(C[5]C[5]2Fe)(CN[6a]H)(H)	C(N[6a]C[6a]2)(CC[5]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(CN[6a]H)(H)	123.1985	0.955	4	123.1985	0.912	4	123.1985	0.912	4	123.1985	0.912	4	123.3497	17.081	15	123.3497	17.081	15
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:3:	3:3:3:	3:2:1:	N[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(N[6a]C[6a]2)(CC[6a]H)(COO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CN[6a]C)(OH)(O)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CN[6a]C)(OH)(O)	112.8200	0.000	1	112.8200	0.000	1	112.8200	0.000	1	112.8200	0.000	1	123.3497	17.081	15	123.3497	17.081	15
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(CC[6a]N[6a])(COO)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]N[6a])(COO)(H)	119.8660	0.000	1	119.8660	0.000	1	119.8660	0.000	1	122.4960	4.150	4	123.3497	17.081	15	123.3497	17.081	15
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[6a]C[6a]2)(CC[6a]H)(COO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[6a]C)(H)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[6a]C)(H)	123.2260	0.000	1	123.2260	0.000	1	123.2260	0.000	1	122.4960	4.150	4	123.3497	17.081	15	123.3497	17.081	15
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[6a]C[6a]2)2(CC[6a]H)	N[6a](C[6a]C[6a]H)2(CN[6a]C)	C(C[6a]C[6a]2)(CN[6a]2)(H)	C(N[6a]C[6a]2)2(CC[6a]H)	N[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[6a]2)(H)	123.4460	1.788	2	123.4460	3.195	2	123.4460	3.195	2	122.4960	4.150	4	123.3497	17.081	15	123.3497	17.081	15
930	217	930	0:SP2_SP2_SP2	C	N[6a]	C	3:3:3:	3:3:3:	3:4:1:	N[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C(CC[6a]N[6a])(CH3)(H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C(CC[6a]N[6a])(CH3)(H)	120.4990	0.000	1	120.4990	0.000	1	120.4990	0.000	1	120.4990	0.000	1	123.3497	17.081	15	123.3497	17.081	15
930	217	951	0:SP2_SP-NON_SP2	C	N[6a]	H	3:1:1:	3:3:3:	3:	N[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[5a,6a]C[6a])(H)2	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH)	H(CN[6a]H)	C(N[6a]C[5a,6a]C[6a])(H)2	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH){4|C<3>}	H(CN[6a]H)	107.4485	2.623	2	107.4485	6.878	2	107.4485	6.878	2	108.4070	3.712	4	114.8255	19.977	14	114.8255	19.977	14
930	217	951	0:SP2_SP-NON_SP2	C	N[6a]	H	3:1:1:	3:3:3:	3:	N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH)	H(CN[6a]H)	C(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH){3|C<3>}	H(CN[6a]H)	109.3655	0.763	2	109.3655	0.582	2	109.3655	0.582	2	108.4070	3.712	4	114.8255	19.977	14	114.8255	19.977	14
930	217	951	0:SP2_SP-NON_SP2	C	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	H(CN[6a]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]C)	117.4900	0.000	1	117.4900	0.000	1	117.2890	0.081	2	117.3929	1.984	10	114.8255	19.977	14	114.8255	19.977	14
930	217	951	0:SP2_SP-NON_SP2	C	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	H(CN[6a]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]C)	117.0880	0.000	1	117.0880	0.000	1	117.2890	0.081	2	117.3929	1.984	10	114.8255	19.977	14	114.8255	19.977	14
930	217	951	0:SP2_SP-NON_SP2	C	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a]2)(CC[5]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH)	H(CN[6a]C)	C(N[6a]C[6a]2)(CC[5]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]C)	118.3858	0.476	4	118.3858	0.227	4	117.4256	2.958	7	117.3929	1.984	10	114.8255	19.977	14	114.8255	19.977	14
930	217	951	0:SP2_SP-NON_SP2	C	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a]2)(CC[6a]H)(H)	N[6a](C[6a]N[6a]O)2(CCH)	H(CN[6a]C)	C(N[6a]C[6a]2)(CC[6a]H)(H)	N[6a](C[6a]N[6a]O)2(CCH){3|C<3>}	H(CN[6a]C)	116.1453	2.057	3	116.1453	4.231	3	117.4256	2.958	7	117.3929	1.984	10	114.8255	19.977	14	114.8255	19.977	14
930	217	951	0:SP2_SP-NON_SP2	C	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	H(CN[6a]C[6])	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	H(CN[6a]C[6])	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.3929	1.984	10	114.8255	19.977	14	114.8255	19.977	14
930	217	956	0:SP2_SP2_SP2	C	N[6a]	N	3:3:1:	3:2:3:	3:1:1:	N[6a]-3:N-3:O-1:	B[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(N[6a]B[6a]N[6a])(NHH)(O)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO)	N(CN[6a]O)(H)2	C(N[6a]B[6a]N[6a])(NHH)(O)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CN[6a]O)(H)2	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	117.5120	0.976	3	117.5120	0.976	3
930	217	956	0:SP2_SP2_SP2	C	N[6a]	N	3:3:3:	3:2:3:	3:4:1:	N[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(N[6a]C[6a]N[6a])(NCH)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN)	N(CN[6a]N)(CCHH)(H)	C(N[6a]C[6a]N[6a])(NCH)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN){1|H<1>,2|C<3>}	N(CN[6a]N)(CCHH)(H)	117.3095	1.306	2	117.3095	1.706	2	117.3095	1.706	2	117.3095	1.706	2	117.5120	0.976	3	117.5120	0.976	3
930	230	930	0:SP2_SP2_SPD6	C	S	C	3:6:3:	3:1:1:1:1:1:	3:2:1:	C-3:S-6:C-3:	C-3:F-1:F-1:F-1:F-1:F-1:	C-3:O-2:O-1:	C(CC[6a]H)(SF5)(COO)	S(CCC)(F)5	C(CCS)(OC)(O)	C(CC[6a]H)(SF5)(COO)	S(CCC)(F)5	C(CCS)(OC)(O)	120.3790	0.000	1	120.3790	0.000	1	120.3790	0.000	1	120.3790	0.000	1	124.1000	11.467	3	124.1000	11.467	3
930	230	930	0:SP2_SP2_SPD6	C	S	C	3:6:3:	3:1:1:1:1:1:	3:3:1:	C-3:S-6:C-3:	C-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(SF5)(COO)	S(CCC)(F)5	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SF5)(COO)	S(CCC)(F)5	C(C[6a]C[6a]2)(CCS)(H)	124.9200	0.000	1	124.9200	0.000	1	124.9200	0.000	1	124.9200	0.000	1	124.1000	11.467	3	124.1000	11.467	3
930	230	930	0:SP2_SP2_SPD6	C	S	C	6:3:1:	3:3:1:1:1:1:	3:3:1:	S-6:C-3:H-1:	C[6a]-3:C-3:F-1:F-1:F-1:F-1:	C[6a]-3:C-3:Cl-1:	C(SC[6a]F4)(CC[6a]Cl)(H)	S(C[6a]C[6a]N[6a])(CCH)(F)4	C(C[6a]C[6a]2)(CHS)(Cl)	C(SC[6a]F4)(CC[6a]Cl)(H)	S(C[6a]C[6a]N[6a])(CCH)(F)4	C(C[6a]C[6a]2)(CHS)(Cl)	127.0010	0.000	1	127.0010	0.000	1	127.0010	0.000	1	127.0010	0.000	1	124.1000	11.467	3	124.1000	11.467	3
930	230	951	0:SP2_SP-NON_SPD6	C	S	H	6:3:1:	3:3:1:1:1:1:	3:	S-6:C-3:H-1:	C[6a]-3:C-3:F-1:F-1:F-1:F-1:	C-3:	C(SC[6a]F4)(CC[6a]Cl)(H)	S(C[6a]C[6a]N[6a])(CCH)(F)4	H(CCS)	C(SC[6a]F4)(CC[6a]Cl)(H)	S(C[6a]C[6a]N[6a])(CCH)(F)4	H(CCS)	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1
930	234	863	0:SP2_SP2_SP3	C	N[3]	O	4:1:1:	6:6:4:3:	3:	N[3]-4:H-1:O-1:	C[3x3]-6:C[3x3]-6:C-4:C-3:	C-3:	C(N[3]C[3x3]2C)(H)(O)	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	O(CN[3]H)	C(N[3]C[3x3]2C)(H)(O)	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	O(CN[3]H)	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1
930	234	951	0:SP2_SP-NON_SP3	C	N[3]	H	4:1:1:	6:6:4:3:	3:	N[3]-4:H-1:O-1:	C[3x3]-6:C[3x3]-6:C-4:C-3:	C-3:	C(N[3]C[3x3]2C)(H)(O)	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	H(CN[3]O)	C(N[3]C[3x3]2C)(H)(O)	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	H(CN[3]O)	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1
930	238	863	0:SP2_SP2_SPD7	C	C[4x3,4,4]	O	7:3:1:	6:5:6:5:6:4:3:	3:	C[4x3,4,4]-7:N-3:O-1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C-3:	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	O(CC[4x3,4,4]N)	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	O(CC[4x3,4,4]N)	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1
930	238	956	0:SP2_SP2_SPD7	C	C[4x3,4,4]	N	7:3:1:	6:5:6:5:6:4:3:	3:3:1:	C[4x3,4,4]-7:N-3:O-1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C-3:C[6a]-3:H-1:	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	116.4990	0.000	1	116.4990	0.000	1	116.4990	0.000	1	116.4990	0.000	1	116.4990	0.000	1	116.4990	0.000	1
930	246	490	0:SP2_SP3_SP3	C	P[5]	C	3:3:4:	2:2:3:	3:4:4:4:	C[6]-3:P[5]-3:C-4:	O[5]-2:O[5]-2:C-3:	C-3:C-4:C-4:C-4:	C(C[6]N[6]2)(P[5]O[5]2)(CC3)	P[5](O[5]C[5,6a])2(CC[6]C)	C(CC[6]P[5])(CH3)3	C(C[6]N[6]2)(P[5]O[5]2)(CC3)	P[5](O[5]C[5,6a])2(CC[6]C){2|C<3>}	C(CC[6]P[5])(CH3)3	123.5340	0.000	1	123.5340	0.000	1	123.5340	0.000	1	123.5340	0.000	1	120.5405	17.922	2	120.5405	17.922	2
930	246	490	0:SP2_SP3_SP3	C	P[5]	C	3:3:4:	3:2:3:	3:4:4:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-2:C-3:	C-3:C-4:C-4:C-4:	C(P[5]C[5]P[5])(C[5]N[5]2)(CC3)	P[5](C[5]P[5]C)(P[5]C[5])(CC[5]C)	C(CC[5]P[5])(CH3)3	C(P[5]C[5]P[5])(C[5]N[5]2)(CC3)	P[5](C[5]P[5]C)(P[5]C[5])(CC[5]C){1|C<4>}	C(CC[5]P[5])(CH3)3	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	120.5405	17.922	2	120.5405	17.922	2
930	246	762	0:SP2_SP2_SP3	C	P[5]	C[6]	3:3:4:	2:2:3:	3:3:3:	C[6]-3:P[5]-3:C-4:	O[5]-2:O[5]-2:C-3:	N[6]-3:N[6]-3:C-3:	C(C[6]N[6]2)(P[5]O[5]2)(CC3)	P[5](O[5]C[5,6a])2(CC[6]C)	C[6](N[6]C[6a]C[6])2(CP[5]C)	C(C[6]N[6]2)(P[5]O[5]2)(CC3)	P[5](O[5]C[5,6a])2(CC[6]C){2|C<3>}	C[6](N[6]C[6a]C[6])2(CP[5]C){1|C<4>,2|O<1>,4|C<3>}	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1
930	246	818	0:SP2_SP2_SP3	C	P[5]	C[5]	3:3:4:	3:2:3:	3:3:3:	P[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-2:C-3:	N[5]-3:N[5]-3:C-3:	C(P[5]C[5]P[5])(C[5]N[5]2)(CC3)	P[5](C[5]P[5]C)(P[5]C[5])(CC[5]C)	C[5](N[5]C[6a]C[5])2(CP[5]C)	C(P[5]C[5]P[5])(C[5]N[5]2)(CC3)	P[5](C[5]P[5]C)(P[5]C[5])(CC[5]C){1|C<4>}	C[5](N[5]C[6a]C[5])2(CP[5]C){2|H<1>,4|C<3>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1
930	246	863	0:SP2_SP2_SP3	C	P[5]	O	4:3:1:	3:3:3:	3:	C[5]-4:P[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]P[5]Fe)(P[5]C[5]2)(O)	P[5](C[5]C[5]Si)(C[5]C[5]C)(CC[5]O)	O(CC[5]P[5])	C(C[5]C[5]P[5]Fe)(P[5]C[5]2)(O)	P[5](C[5]C[5]Si)(C[5]C[5]C)(CC[5]O){2|C<4>}	O(CC[5]P[5])	121.3678	1.785	4	121.3678	3.185	4	121.3678	3.185	4	121.3678	3.185	4	121.3678	3.185	4	121.3678	3.185	4
930	246	893	0:SP2_SP2_SP3	C	P[5]	O	3:2:2:	3:3:3:	3:3:	P[5]-3:N-2:O-2:	N[5]-3:N[5]-3:C-3:	P[5]-3:C-3:	C(P[5]N[5]2)(NC[6a])(OP[5])	P[5](N[5]C[6a]C[5])2(CNO)	O(P[5]N[5]2)(CP[5]N)	C(P[5]N[5]2)(NC[6a])(OP[5])	P[5](N[5]C[6a]C[5])2(CNO){4|C<3>,4|H<1>}	O(P[5]N[5]2)(CP[5]N)	121.6730	0.000	1	121.6730	0.000	1	121.6730	0.000	1	121.6730	0.000	1	121.6730	0.000	1	121.6730	0.000	1
930	246	909	0:SP2_SP2_SP3	C	P[5]	S	3:2:1:	3:3:3:	3:3:	P[5]-3:S-2:S-1:	N[5]-3:N[5]-3:C-3:	P[5]-3:C-3:	C(P[5]N[5]2)(SP[5])(S)	P[5](N[5]C[6a]C[5])2(CSS)	S(P[5]N[5]2)(CP[5]S)	C(P[5]N[5]2)(SP[5])(S)	P[5](N[5]C[6a]C[5])2(CSS){4|C<3>,4|H<1>}	S(P[5]N[5]2)(CP[5]S)	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1
930	246	941	0:SP2_SP2_SP3	C	P[5]	N	3:2:2:	3:3:3:	3:3:	P[5]-3:N-2:O-2:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C-3:	C(P[5]N[5]2)(NC[6a])(OP[5])	P[5](N[5]C[6a]C[5])2(CNO)	N(C[6a]C[6a]2)(CP[5]O)	C(P[5]N[5]2)(NC[6a])(OP[5])	P[5](N[5]C[6a]C[5])2(CNO){4|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CP[5]O)	122.0030	0.000	1	122.0030	0.000	1	122.0030	0.000	1	122.0030	0.000	1	122.0030	0.000	1	122.0030	0.000	1
930	246	977	0:SP2_SP-NON_SP3	C	P[5]	S	3:2:1:	3:3:3:	3:	P[5]-3:S-2:S-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(P[5]N[5]2)(SP[5])(S)	P[5](N[5]C[6a]C[5])2(CSS)	S(CP[5]S)	C(P[5]N[5]2)(SP[5])(S)	P[5](N[5]C[6a]C[5])2(CSS){4|C<3>,4|H<1>}	S(CP[5]S)	128.3930	0.000	1	128.3930	0.000	1	128.3930	0.000	1	128.3930	0.000	1	128.3930	0.000	1	128.3930	0.000	1
930	254	466	0:SP2_SP3_SP3	C	Ge[6]	C[3x6]	4:4:1:	4:4:3:4:	4:4:4:3:	C[3x6]-4:Ge[6]-4:O-1:	Si[6]-4:Si[6]-4:C-3:Si-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C(C[3x6]C[6,6]3)(Ge[6]Si[6]2Si)(O)	Ge[6](Si[6]Si[6]CC)2(CC[3x6]O)(SiC3)	C[3x6](C[6,6]C[3x6]HH)3(CGe[6]O)	C(C[3x6]C[6,6]3)(Ge[6]Si[6]2Si)(O)	Ge[6](Si[6]Si[6]CC)2(CC[3x6]O)(SiC3){1|Ge<4>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)3(CGe[6]O){3|C<4>,3|H<1>}	124.0230	0.000	1	124.0230	0.000	1	124.0230	0.000	1	124.0230	0.000	1	124.0230	0.000	1	124.0230	0.000	1
930	254	643	0:SP2_SP2_SP3	C	Ge[6]	C[6a]	4:3:1:	4:4:3:4:	3:3:3:	Ge[6]-4:C[6a]-3:O-1:	Si[6]-4:Si[6]-4:C-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	Ge[6](Si[6]Si[6]CC)2(CC[6a]O)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CGe[6]O)	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	Ge[6](Si[6]Si[6]CC)2(CC[6a]O)(SiC3){1|Ge<4>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CGe[6]O){1|C<3>,2|H<1>}	122.6850	0.000	1	122.6850	0.000	1	122.2020	0.467	2	122.2020	0.467	2	122.2020	0.467	2	122.2020	0.467	2
930	254	643	0:SP2_SP2_SP3	C	Ge[6]	C[6a]	4:3:1:	4:4:3:4:	3:3:3:	Ge[6]-4:C[6a]-3:O-1:	Si[6]-4:Si[6]-4:C-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	Ge[6](Si[6]Si[6]CC)2(CC[6a]O)(SiC3)	C[6a](C[6a]C[6a]C)2(CGe[6]O)	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	Ge[6](Si[6]Si[6]CC)2(CC[6a]O)(SiC3){1|Ge<4>,4|C<4>}	C[6a](C[6a]C[6a]C)2(CGe[6]O){1|C<3>,2|H<1>}	121.7190	0.000	1	121.7190	0.000	1	122.2020	0.467	2	122.2020	0.467	2	122.2020	0.467	2	122.2020	0.467	2
930	254	863	0:SP2_SP2_SP3	C	Ge[6]	O	4:3:1:	4:4:3:4:	3:	Ge[6]-4:C[6a]-3:O-1:	Si[6]-4:Si[6]-4:C-3:Si-4:	C-3:	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	Ge[6](Si[6]Si[6]CC)2(CC[6a]O)(SiC3)	O(CC[6a]Ge[6])	C(Ge[6]Si[6]2Si)(C[6a]C[6a]2)(O)	Ge[6](Si[6]Si[6]CC)2(CC[6a]O)(SiC3){1|Ge<4>,4|C<4>}	O(CC[6a]Ge[6])	117.7110	0.624	2	117.7110	0.389	2	117.7110	0.389	2	117.7110	0.389	2	116.6160	3.792	3	116.6160	3.792	3
930	254	863	0:SP2_SP2_SP3	C	Ge[6]	O	4:4:1:	4:4:3:4:	3:	C[3x6]-4:Ge[6]-4:O-1:	Si[6]-4:Si[6]-4:C-3:Si-4:	C-3:	C(C[3x6]C[6,6]3)(Ge[6]Si[6]2Si)(O)	Ge[6](Si[6]Si[6]CC)2(CC[3x6]O)(SiC3)	O(CC[3x6]Ge[6])	C(C[3x6]C[6,6]3)(Ge[6]Si[6]2Si)(O)	Ge[6](Si[6]Si[6]CC)2(CC[3x6]O)(SiC3){1|Ge<4>,4|C<4>}	O(CC[3x6]Ge[6])	114.4260	0.000	1	114.4260	0.000	1	114.4260	0.000	1	114.4260	0.000	1	116.6160	3.792	3	116.6160	3.792	3
930	278	490	0:SP2_SP2_SP3	C	Ge[6]	C	3:4:2:	3:3:3:	3:4:4:4:	Ge[6]-3:C-4:P-2:	N[6]-3:N[6]-3:C-3:	C-3:C-4:C-4:C-4:	C(Ge[6]N[6]2)(CC3)(PH)	Ge[6](N[6]C[6a]C[6])2(CCP)	C(CGe[6]P)(CH3)3	C(Ge[6]N[6]2)(CC3)(PH)	Ge[6](N[6]C[6a]C[6])2(CCP){2|C<4>,5|C<3>}	C(CGe[6]P)(CH3)3	113.2090	0.000	1	113.2090	0.000	1	113.2090	0.000	1	113.2090	0.000	1	113.2090	0.000	1	113.2090	0.000	1
930	278	762	0:SP2_SP2_SP2	C	Ge[6]	C[6]	3:3:2:	4:4:3:	3:3:3:	Ge[6]-3:C[6]-3:O-2:	Si[6]-4:Si[6]-4:C-3:	C[6]-3:C[6]-3:C-3:	C(Ge[6]Si[6]2)(C[6]C[6]2)(OSi)	Ge[6](Si[6]Si[6]CC)2(CC[6]O)	C[6](C[6]C[6]C)2(CGe[6]O)	C(Ge[6]Si[6]2)(C[6]C[6]2)(OSi)	Ge[6](Si[6]Si[6]CC)2(CC[6]O){1|Ge<4>,4|C<4>}	C[6](C[6]C[6]C)2(CGe[6]O){1|C<3>}	127.7040	0.000	1	127.7040	0.000	1	127.7040	0.000	1	127.7040	0.000	1	127.7040	0.000	1	127.7040	0.000	1
930	278	880	0:SP2_SP2_SP3	C	Ge[6]	Si	3:4:2:	3:3:3:	3:4:4:4:	Ge[6]-3:Si-4:N-2:	N[6]-3:N[6]-3:C-3:	C-3:C-4:C-4:C-4:	C(Ge[6]N[6]2)(SiC3)(NN)	Ge[6](N[6]C[6a]C[6])2(CSiN)	Si(CGe[6]N)(CH3)3	C(Ge[6]N[6]2)(SiC3)(NN)	Ge[6](N[6]C[6a]C[6])2(CSiN){2|C<4>,5|C<3>}	Si(CGe[6]N)(CH3)3	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1
930	278	893	0:SP2_SP2_SP2	C	Ge[6]	O	3:3:2:	4:4:3:	3:4:	Ge[6]-3:C[6]-3:O-2:	Si[6]-4:Si[6]-4:C-3:	C-3:Si-4:	C(Ge[6]Si[6]2)(C[6]C[6]2)(OSi)	Ge[6](Si[6]Si[6]CC)2(CC[6]O)	O(CGe[6]C[6])(SiC3)	C(Ge[6]Si[6]2)(C[6]C[6]2)(OSi)	Ge[6](Si[6]Si[6]CC)2(CC[6]O){1|Ge<4>,4|C<4>}	O(CGe[6]C[6])(SiC3)	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1
930	278	930	0:SP2_SP2_SP2	C	Ge[6]	C	3:3:3:	3:3:3:	3:1:1:	Ge[6]-3:C-3:C-3:	N[6]-3:N[6]-3:C-3:	C-3:H-1:H-1:	C(Ge[6]N[6]2)(CHH)(COO)	Ge[6](N[6]C[6a]C[6])2(CCC)	C(CGe[6]C)(H)2	C(Ge[6]N[6]2)(CHH)(COO)	Ge[6](N[6]C[6a]C[6])2(CCC){2|C<4>,5|C<3>}	C(CGe[6]C)(H)2	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	123.0801	24.005	8	123.0801	24.005	8
930	278	930	0:SP2_SP2_SP2	C	Ge[6]	C	3:3:3:	3:3:3:	3:2:1:	Ge[6]-3:C-3:C-3:	N[6]-3:N[6]-3:C-3:	C-3:O-2:O-1:	C(Ge[6]N[6]2)(CCH)(COO)	Ge[6](N[6]C[6a]C[6])2(CCC)	C(CGe[6]C)(OC)(O)	C(Ge[6]N[6]2)(CCH)(COO)	Ge[6](N[6]C[6a]C[6])2(CCC){2|C<4>,5|C<3>}	C(CGe[6]C)(OC)(O)	124.8007	1.608	3	124.8007	2.587	3	126.2283	9.877	4	126.2283	9.877	4	123.0801	24.005	8	123.0801	24.005	8
930	278	930	0:SP2_SP2_SP2	C	Ge[6]	C	3:3:3:	3:3:3:	3:2:1:	Ge[6]-3:C-3:C-3:	N[6]-3:N[6]-3:C-3:	C-3:O-2:O-1:	C(Ge[6]N[6]2)(CHH)(COO)	Ge[6](N[6]C[6a]C[6])2(CCC)	C(CGe[6]C)(OC)(O)	C(Ge[6]N[6]2)(CHH)(COO)	Ge[6](N[6]C[6a]C[6])2(CCC){2|C<4>,5|C<3>}	C(CGe[6]C)(OC)(O)	130.5110	0.000	1	130.5110	0.000	1	126.2283	9.877	4	126.2283	9.877	4	123.0801	24.005	8	123.0801	24.005	8
930	278	930	0:SP2_SP2_SP2	C	Ge[6]	C	3:3:3:	3:3:3:	3:3:1:	Ge[6]-3:C-3:C-3:	N[6]-3:N[6]-3:C-3:	C-3:C-3:H-1:	C(Ge[6]N[6]2)(CCH)(COO)	Ge[6](N[6]C[6a]C[6])2(CCC)	C(CGe[6]C)(COO)(H)	C(Ge[6]N[6]2)(CCH)(COO)	Ge[6](N[6]C[6a]C[6])2(CCC){2|C<4>,5|C<3>}	C(CGe[6]C)(COO)(H)	122.1267	0.813	3	122.1267	0.661	3	122.1267	0.661	3	122.1267	0.661	3	123.0801	24.005	8	123.0801	24.005	8
930	278	940	0:SP2_SP-NON_SP2	C	Ge[6]	P	3:4:2:	3:3:3:	3:1:	Ge[6]-3:C-4:P-2:	N[6]-3:N[6]-3:C-3:	C-3:H-1:	C(Ge[6]N[6]2)(CC3)(PH)	Ge[6](N[6]C[6a]C[6])2(CCP)	P(CGe[6]C)(H)	C(Ge[6]N[6]2)(CC3)(PH)	Ge[6](N[6]C[6a]C[6])2(CCP){2|C<4>,5|C<3>}	P(CGe[6]C)(H)	126.0030	0.000	1	126.0030	0.000	1	126.0030	0.000	1	126.0030	0.000	1	126.0030	0.000	1	126.0030	0.000	1
930	278	941	0:SP2_SP2_SP2	C	Ge[6]	N	3:4:2:	3:3:3:	3:1:	Ge[6]-3:Si-4:N-2:	N[6]-3:N[6]-3:C-3:	C-3:N-1:	C(Ge[6]N[6]2)(SiC3)(NN)	Ge[6](N[6]C[6a]C[6])2(CSiN)	N(CGe[6]Si)(N)	C(Ge[6]N[6]2)(SiC3)(NN)	Ge[6](N[6]C[6a]C[6])2(CSiN){2|C<4>,5|C<3>}	N(CGe[6]Si)(N)	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1
930	310	430	0:SP2_SP-NON_SP3	C	Ge	Se	4:3:1:	3:4:4:4:	3:	Ge-4:N-3:Se-1:	C-3:C-4:C-4:C-4:	C-3:	C(GeC3)(NCC)(Se)	Ge(CSeN)(CH3)3	Se(CGeN)	C(GeC3)(NCC)(Se)	Ge(CSeN)(CH3)3	Se(CGeN)	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1
930	310	490	0:SP2_SP3_SP3	C	Ge	C	4:3:4:	3:3:3:3:	3:1:1:1:	Ge-4:C-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:F-1:F-1:F-1:	C(GeC[6a]3)(CN[5]H)(CF3)	Ge(C[6a]C[6a]2)3(CCC)	C(CGeC)(F)3	C(GeC[6a]3)(CN[5]H)(CF3)	Ge(C[6a]C[6a]2)3(CCC)	C(CGeC)(F)3	117.1090	0.540	2	117.1090	0.292	2	117.1090	0.292	2	117.1090	0.292	2	117.1090	0.292	2	117.1090	0.292	2
930	310	542	0:SP2_SP2_SP3	C	Ge	N[5]	3:4:3:	3:3:3:3:	4:3:3:	N[5]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	Ge(C[6a]C[6a]2)3(CN[5]C)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CGeC)	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	Ge(C[6a]C[6a]2)3(CN[5]C)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CGeC){2|H<1>}	115.5000	3.017	3	115.5000	9.100	3	115.5000	9.100	3	115.5000	9.100	3	115.5000	9.100	3	115.5000	9.100	3
930	310	643	0:SP2_SP2_SP3	C	Ge	C[6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6a]-3:Ge-4:O-1:	C-3:C-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(GeC3)(O)	Ge(CC[6a]O)3(CCHH)	C[6a](C[6a]C[6a]C)2(CGeO)	C(C[6a]C[6a]2)(GeC3)(O)	Ge(CC[6a]O)3(CCHH)	C[6a](C[6a]C[6a]C)2(CGeO){1|C<3>,2|H<1>}	121.5528	3.029	9	121.5528	9.174	9	121.5528	9.174	9	121.5528	9.174	9	120.2087	9.929	16	120.2087	9.929	16
930	310	643	0:SP2_SP2_SP3	C	Ge	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:Ge-4:N-2:	C-3:C-3:Ge-4:Si-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	C[6a](C[6a]C[6a]H)2(CGeN)	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	C[6a](C[6a]C[6a]H)2(CGeN){1|C<3>,2|H<1>}	117.4065	3.408	2	117.4065	11.611	2	117.4065	11.611	2	117.4065	11.611	2	120.2087	9.929	16	120.2087	9.929	16
930	310	643	0:SP2_SP2_SP3	C	Ge	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CGeC)	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	120.6310	0.000	1	120.6310	0.000	1	118.9102	5.883	5	118.9102	5.883	5	120.2087	9.929	16	120.2087	9.929	16
930	310	643	0:SP2_SP2_SP3	C	Ge	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CGeC)	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	121.7110	0.000	1	121.7110	0.000	1	118.9102	5.883	5	118.9102	5.883	5	120.2087	9.929	16	120.2087	9.929	16
930	310	643	0:SP2_SP2_SP3	C	Ge	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CGeC)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	118.0760	0.000	1	118.0760	0.000	1	118.9102	5.883	5	118.9102	5.883	5	120.2087	9.929	16	120.2087	9.929	16
930	310	643	0:SP2_SP2_SP3	C	Ge	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CGeC)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	117.0665	2.287	2	117.0665	5.233	2	118.9102	5.883	5	118.9102	5.883	5	120.2087	9.929	16	120.2087	9.929	16
930	310	790	0:SP2_SP-NON_SP3	C	Ge	Cl	4:2:1:	3:3:4:1:	3:	Ge-4:P-2:Cl-1:	C[6a]-3:C-3:C-4:F-1:	C-3:	C(GeC[6a]CF)(PC[6a])(Cl)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	Cl(CGeP)	C(GeC[6a]CF)(PC[6a])(Cl)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	Cl(CGeP)	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1
930	310	830	0:SP2_SP-NON_SP3	C	Ge	F	4:3:1:	3:3:3:3:	3:	Ge-4:C-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(GeC[6a]3)(CCF)(F)	Ge(C[6a]C[6a]2)3(CCF)	F(CGeC)	C(GeC[6a]3)(CCF)(F)	Ge(C[6a]C[6a]2)3(CCF)	F(CGeC)	113.5230	0.850	3	113.5230	0.722	3	114.2696	1.760	5	114.2696	1.760	5	114.2696	1.760	5	114.2696	1.760	5
930	310	830	0:SP2_SP-NON_SP3	C	Ge	F	4:3:1:	3:3:3:3:	3:	Ge-4:C-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(GeC[6a]3)(CC[6a]F)(F)	Ge(C[6a]C[6a]2)3(CCF)	F(CGeC)	C(GeC[6a]3)(CC[6a]F)(F)	Ge(C[6a]C[6a]2)3(CCF)	F(CGeC)	116.2300	0.000	1	116.2300	0.000	1	114.2696	1.760	5	114.2696	1.760	5	114.2696	1.760	5	114.2696	1.760	5
930	310	830	0:SP2_SP-NON_SP3	C	Ge	F	4:3:1:	3:3:3:3:	3:	Ge-4:C-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(GeC[6a]3)(CFH)(F)	Ge(C[6a]C[6a]2)3(CCF)	F(CGeC)	C(GeC[6a]3)(CFH)(F)	Ge(C[6a]C[6a]2)3(CCF)	F(CGeC)	114.5490	0.000	1	114.5490	0.000	1	114.2696	1.760	5	114.2696	1.760	5	114.2696	1.760	5	114.2696	1.760	5
930	310	863	0:SP2_SP2_SP3	C	Ge	O	3:4:1:	3:3:3:4:	3:	C[6a]-3:Ge-4:O-1:	C-3:C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(GeC3)(O)	Ge(CC[6a]O)3(CCHH)	O(CC[6a]Ge)	C(C[6a]C[6a]2)(GeC3)(O)	Ge(CC[6a]O)3(CCHH)	O(CC[6a]Ge)	116.4452	3.525	9	116.4452	12.423	9	116.4452	12.423	9	116.4452	12.423	9	116.4452	12.423	9	116.4452	12.423	9
930	310	930	0:SP2_SP2_SP3	C	Ge	C	3:4:3:	3:3:3:3:	3:3:1:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C(CC[6a]Ge)(NC[6a]C)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C(CC[6a]Ge)(NC[6a]C)(H)	115.2950	0.000	1	115.2950	0.000	1	115.2950	0.000	1	120.9127	45.867	6	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	3:4:3:	3:3:3:3:	3:3:1:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C(N[5]C[5]2)(CC[6a]Ge)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C(N[5]C[5]2)(CC[6a]Ge)(H)	116.4825	1.268	2	116.4825	1.607	2	116.4825	1.607	2	120.9127	45.867	6	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	3:4:3:	3:3:3:3:	3:3:1:	N[5]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	Ge(C[6a]C[6a]2)3(CN[5]C)	C(C[6a]C[6a]2)(CN[5]Ge)(H)	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	Ge(C[6a]C[6a]2)3(CN[5]C)	C(C[6a]C[6a]2)(CN[5]Ge)(H)	125.7387	6.597	3	125.7387	43.523	3	125.7387	43.523	3	120.9127	45.867	6	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	3:4:3:	3:3:3:3:	3:3:2:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-2:	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C(N[5]C[5]2)(CC[6a]Ge)(CC)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C(N[5]C[5]2)(CC[6a]Ge)(CC)	119.9280	0.000	1	119.9280	0.000	1	119.9280	0.000	1	119.9280	0.000	1	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	3:4:3:	3:3:3:3:	3:4:1:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C(CC[6a]Ge)(PO3)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C(CC[6a]Ge)(PO3)(H)	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:1:	3:2:2:2:	3:1:1:	Ge-4:C-3:H-1:	C-3:O-2:O-2:O-2:	C-3:H-1:H-1:	C(GeO3)(CHH)(H)	Ge(CCH)(OC)3	C(CGeH)(H)2	C(GeO3)(CHH)(H)	Ge(CCH)(OC)3	C(CGeH)(H)2	125.4650	0.000	1	125.4650	0.000	1	125.4650	0.000	1	125.4650	0.000	1	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:1:	3:3:3:3:	3:1:1:	Ge-4:C-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:F-1:H-1:	C(GeC[6a]3)(CFH)(F)	Ge(C[6a]C[6a]2)3(CCF)	C(CGeF)(F)(H)	C(GeC[6a]3)(CFH)(F)	Ge(C[6a]C[6a]2)3(CCF)	C(CGeF)(F)(H)	131.2250	0.000	1	131.2250	0.000	1	131.2250	0.000	1	131.2250	0.000	1	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:1:	3:3:3:3:	3:3:1:	Ge-4:C-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:F-1:	C(GeC[6a]3)(CC[6a]F)(F)	Ge(C[6a]C[6a]2)3(CCF)	C(C[6a]C[6a]2)(CGeF)(F)	C(GeC[6a]3)(CC[6a]F)(F)	Ge(C[6a]C[6a]2)3(CCF)	C(C[6a]C[6a]2)(CGeF)(F)	125.5100	0.000	1	125.5100	0.000	1	125.5100	0.000	1	130.2050	19.370	3	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:1:	3:3:3:3:	3:3:1:	Ge-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(GeC[6a]3)(CC[6a]H)(H)	Ge(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(CGeH)(H)	C(GeC[6a]3)(CC[6a]H)(H)	Ge(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(CGeH)(H)	132.5525	2.382	2	132.5525	5.675	2	132.5525	5.675	2	130.2050	19.370	3	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:1:	3:3:3:3:	3:4:1:	Ge-4:C-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-4:F-1:	C(GeC[6a]3)(CCF)(F)	Ge(C[6a]C[6a]2)3(CCF)	C(CGeF)(CC3)(F)	C(GeC[6a]3)(CCF)(F)	Ge(C[6a]C[6a]2)3(CCF)	C(CGeF)(CC3)(F)	127.7280	1.387	2	127.7280	1.925	2	129.2070	7.525	3	131.3100	13.038	5	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:1:	3:3:3:3:	3:4:1:	Ge-4:C-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-4:F-1:	C(GeC[6a]3)(CCF)(F)	Ge(C[6a]C[6a]2)3(CCF)	C(CGeF)(CF3)(F)	C(GeC[6a]3)(CCF)(F)	Ge(C[6a]C[6a]2)3(CCF)	C(CGeF)(CF3)(F)	132.1650	0.000	1	132.1650	0.000	1	129.2070	7.525	3	131.3100	13.038	5	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:1:	3:3:3:3:	3:4:1:	Ge-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(GeC[6a]3)(CCH)(H)	Ge(C[6a]C[6a]2)3(CCH)	C(CGeH)(CF3)(H)	C(GeC[6a]3)(CCH)(H)	Ge(C[6a]C[6a]2)3(CCH)	C(CGeH)(CF3)(H)	134.4645	1.983	2	134.4645	3.934	2	134.4645	3.934	2	131.3100	13.038	5	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:3:	3:3:2:1:	3:4:1:	Ge-4:Ga-3:C-3:	C[6a]-3:C-3:C-2:Cl-1:	C-3:C-4:H-1:	C(GeC[6a]ClC)(GaCC)(CCH)	Ge(C[6a]C[6a]2)(CGaC)(CC)(Cl)	C(CGaGe)(CC3)(H)	C(GeC[6a]ClC)(GaCC)(CCH)	Ge(C[6a]C[6a]2)(CGaC)(CC)(Cl)	C(CGaGe)(CC3)(H)	128.6980	0.000	1	128.6980	0.000	1	128.6980	0.000	1	128.6980	0.000	1	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:3:	3:3:3:2:	3:4:1:	Ge-4:Ga-3:C-3:	C-3:N-3:N-3:C-2:	C-3:C-4:H-1:	C(GeCNN)(GaCC)(CCH)	Ge(CGaC)(NCC)2(CC)	C(CGaGe)(CC3)(H)	C(GeCNN)(GaCC)(CCH)	Ge(CGaC)(NCC)2(CC)	C(CGaGe)(CC3)(H)	132.2810	0.000	1	132.2810	0.000	1	132.2810	0.000	1	132.2810	0.000	1	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:3:	4:4:4:3:	3:2:1:	Ge-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:O-2:O-1:	C(GeC3)(CCP)(COO)	Ge(CH3)3(CCC)	C(CGeC)(OC)(O)	C(GeC3)(CCP)(COO)	Ge(CH3)3(CCC)	C(CGeC)(OC)(O)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:3:	4:4:4:3:	4:3:3:	Ge-4:C-3:C-3:	C-4:C-4:C-4:C-3:	P-4:C-3:C-3:	C(GeC3)(CCP)(COO)	Ge(CH3)3(CCC)	C(PC[6a]2N)(CGeC)(COO)	C(GeC3)(CCP)(COO)	Ge(CH3)3(CCC)	C(PC[6a]2N)(CGeC)(COO)	134.7560	0.000	1	134.7560	0.000	1	134.7560	0.000	1	134.7560	0.000	1	125.8479	58.938	24	125.8479	58.938	24
930	310	930	0:SP2_SP2_SP3	C	Ge	C	4:3:4:	3:3:3:3:	3:3:1:	Ge-4:C-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(GeC[6a]3)(CN[5]H)(CF3)	Ge(C[6a]C[6a]2)3(CCC)	C(N[5]C[5]2)(CGeC)(H)	C(GeC[6a]3)(CN[5]H)(CF3)	Ge(C[6a]C[6a]2)3(CCC)	C(N[5]C[5]2)(CGeC)(H)	127.1395	0.988	2	127.1395	0.976	2	127.1395	0.976	2	127.1395	0.976	2	125.8479	58.938	24	125.8479	58.938	24
930	310	940	0:SP2_SP-NON_SP3	C	Ge	P	4:2:1:	3:3:4:1:	3:3:	Ge-4:P-2:Cl-1:	C[6a]-3:C-3:C-4:F-1:	C[6a]-3:C-3:	C(GeC[6a]CF)(PC[6a])(Cl)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	P(C[6a]C[6a]2)(CClGe)	C(GeC[6a]CF)(PC[6a])(Cl)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	P(C[6a]C[6a]2)(CClGe)	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1
930	310	941	0:SP2_SP2_SP3	C	Ge	N	3:4:2:	3:3:4:4:	3:4:	C[6a]-3:Ge-4:N-2:	C-3:C-3:Ge-4:Si-4:	C-3:Si-4:	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	N(CC[6a]Ge)(SiC3)	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	N(CC[6a]Ge)(SiC3)	117.8095	1.841	2	117.8095	3.388	2	117.8095	3.388	2	117.8095	3.388	2	117.8095	3.388	2	117.8095	3.388	2
930	310	951	0:SP2_SP-NON_SP3	C	Ge	H	4:3:1:	3:2:2:2:	3:	Ge-4:C-3:H-1:	C-3:O-2:O-2:O-2:	C-3:	C(GeO3)(CHH)(H)	Ge(CCH)(OC)3	H(CGeC)	C(GeO3)(CHH)(H)	Ge(CCH)(OC)3	H(CGeC)	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	114.0076	4.177	5	114.0076	4.177	5
930	310	951	0:SP2_SP-NON_SP3	C	Ge	H	4:3:1:	3:3:3:3:	3:	Ge-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(GeC[6a]3)(CCH)(H)	Ge(C[6a]C[6a]2)3(CCH)	H(CGeC)	C(GeC[6a]3)(CCH)(H)	Ge(C[6a]C[6a]2)3(CCH)	H(CGeC)	112.7920	1.025	2	112.7920	1.051	2	113.2032	1.257	4	113.2032	1.257	4	114.0076	4.177	5	114.0076	4.177	5
930	310	951	0:SP2_SP-NON_SP3	C	Ge	H	4:3:1:	3:3:3:3:	3:	Ge-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(GeC[6a]3)(CC[6a]H)(H)	Ge(C[6a]C[6a]2)3(CCH)	H(CGeC)	C(GeC[6a]3)(CC[6a]H)(H)	Ge(C[6a]C[6a]2)3(CCH)	H(CGeC)	113.6145	1.429	2	113.6145	2.042	2	113.2032	1.257	4	113.2032	1.257	4	114.0076	4.177	5	114.0076	4.177	5
930	310	956	0:SP2_SP2_SP3	C	Ge	N	4:3:1:	3:4:4:4:	4:4:3:	Ge-4:N-3:Se-1:	C-3:C-4:C-4:C-4:	C-4:C-4:C-3:	C(GeC3)(NCC)(Se)	Ge(CSeN)(CH3)3	N(CC[6a]HH)2(CGeSe)	C(GeC3)(NCC)(Se)	Ge(CSeN)(CH3)3	N(CC[6a]HH)2(CGeSe)	121.5810	0.000	1	121.5810	0.000	1	121.5810	0.000	1	121.5810	0.000	1	121.5810	0.000	1	121.5810	0.000	1
930	310	969	0:SP2_SP-NON_SP3	C	Ge	Ga	4:3:3:	3:3:2:1:	3:4:4:	Ge-4:Ga-3:C-3:	C[6a]-3:C-3:C-2:Cl-1:	C-3:C-4:C-4:	C(GeC[6a]ClC)(GaCC)(CCH)	Ge(C[6a]C[6a]2)(CGaC)(CC)(Cl)	Ga(CGeC)(CC3)2	C(GeC[6a]ClC)(GaCC)(CCH)	Ge(C[6a]C[6a]2)(CGaC)(CC)(Cl)	Ga(CGeC)(CC3)2	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	101.4813	44.438	2	101.4813	44.438	2
930	310	969	0:SP2_SP-NON_SP3	C	Ge	Ga	4:3:3:	3:3:3:2:	3:4:4:	Ge-4:Ga-3:C-3:	C-3:N-3:N-3:C-2:	C-3:C-4:C-4:	C(GeCNN)(GaCC)(CCH)	Ge(CGaC)(NCC)2(CC)	Ga(CGeC)(CC3)2	C(GeCNN)(GaCC)(CCH)	Ge(CGaC)(NCC)2(CC)	Ga(CGeC)(CC3)2	96.7676	0.000	1	96.7676	0.000	1	96.7676	0.000	1	96.7676	0.000	1	101.4813	44.438	2	101.4813	44.438	2
930	362	490	0:SP2_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:2:4:	6:6:6:6:6:3:	3:4:4:4:	C[5x3,5x5,20x6]-6:N-2:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:C-4:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(CC3)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCN)	C(CC[5x3,5x5,20x6]N)(CH3)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(CC3)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCN){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]N)(CH3)3	119.0780	0.000	1	119.0780	0.000	1	119.0780	0.000	1	119.0780	0.000	1	117.1515	7.423	2	117.1515	7.423	2
930	362	490	0:SP2_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:3:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,20x6]-6:C-4:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(CZrC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Zr)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CCC)	C(CC[5x3,5x5,20x6]C)(CH3)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(CZrC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Zr)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CCC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C)(CH3)(H)2	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	117.1515	7.423	2	117.1515	7.423	2
930	362	542	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N[5]	6:3:1:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,20x6]-6:N[5]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[5]-4:C[5]-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CN[5]O)	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CN[5]O){1|B<6>,5|H<1>}	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2{4|H<1>}	122.2060	0.000	1	122.2060	0.000	1	122.6980	0.432	5	122.6980	0.432	5	123.1618	1.636	6	123.1618	1.636	6
930	362	542	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N[5]	6:3:1:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,20x6]-6:N[5]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[5]-4:C[5]-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CN[5]O)	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CN[5]O){1|B<6>,5|H<1>}	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2{4|H<1>}	123.6840	0.000	1	123.6840	0.000	1	122.6980	0.432	5	122.6980	0.432	5	123.1618	1.636	6	123.1618	1.636	6
930	362	542	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N[5]	6:3:1:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,20x6]-6:N[5]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[5]-4:C[5]-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)2(CN[5]O)	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)2(CN[5]O){1|B<6>,5|H<1>}	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2{4|H<1>}	123.0090	0.000	1	123.0090	0.000	1	122.6980	0.432	5	122.6980	0.432	5	123.1618	1.636	6	123.1618	1.636	6
930	362	542	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N[5]	6:3:1:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,20x6]-6:N[5]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[5]-4:C[5]-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CN[5]O)	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CN[5]O){1|B<6>,5|H<1>}	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2{4|H<1>}	122.2955	0.305	2	122.2955	0.093	2	122.6980	0.432	5	122.6980	0.432	5	123.1618	1.636	6	123.1618	1.636	6
930	362	542	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N[5]	6:3:2:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,20x6]-6:N[5]-3:O-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[5]-4:C[5]-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(OIr)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CN[5]O)	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(OIr)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CN[5]O){1|B<6>,5|H<1>}	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2{4|H<1>}	125.4810	0.000	1	125.4810	0.000	1	125.4810	0.000	1	125.4810	0.000	1	123.1618	1.636	6	123.1618	1.636	6
930	362	643	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:	6:6:6:6:6:3:	3:3:2:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:N[6a]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]O){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	119.7233	10.736	13	119.7233	10.736	13
930	362	643	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]O){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	121.2375	0.234	2	121.2375	0.055	2	121.2375	0.055	2	121.5769	1.303	8	119.7233	10.736	13	119.7233	10.736	13
930	362	643	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]O){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	121.4656	1.346	5	121.4656	1.812	5	121.6900	1.752	6	121.5769	1.303	8	119.7233	10.736	13	119.7233	10.736	13
930	362	643	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]O){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	122.8120	0.000	1	122.8120	0.000	1	121.6900	1.752	6	121.5769	1.303	8	119.7233	10.736	13	119.7233	10.736	13
930	362	643	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]C)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C)	C[6a](CC[5x3,5x5,20x6]C)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]C)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.7865	0.909	2	114.7865	0.826	2	114.7865	0.826	2	115.5100	5.706	4	119.7233	10.736	13	119.7233	10.736	13
930	362	643	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]Ni)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ni)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[6a]C)	C[6a](CC[5x3,5x5,20x6]C)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]Ni)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ni)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[6a]C){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	115.5100	5.706	4	119.7233	10.736	13	119.7233	10.736	13
930	362	643	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]N)	C[6a](CC[5x3,5x5,20x6]N)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]N){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	115.5100	5.706	4	119.7233	10.736	13	119.7233	10.736	13
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(COO){1|B<6>,1|S<2>,4|H<1>}	O(CC[5x3,5x5,20x6]O)	121.1480	0.000	1	121.1480	0.000	1	122.1768	1.992	5	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])5(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])5(COO){10|C<3>,1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)	120.6880	0.000	1	120.6880	0.000	1	122.1768	1.992	5	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(COO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)	122.6230	0.000	1	122.6230	0.000	1	122.1768	1.992	5	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OIr)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OIr)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(COO){1|B<6>,1|C<3>,4|H<1>}	O(CC[5x3,5x5,20x6]O)	123.2125	1.532	2	123.2125	2.348	2	122.1768	1.992	5	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO){1|B<6>,1|I<1>,4|H<1>}	O(CC[5x3,5x5,20x6]O)	122.4290	0.000	1	122.4290	0.000	1	120.5447	1.729	6	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OCu)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OCu)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)	119.1650	0.000	1	119.1650	0.000	1	120.5447	1.729	6	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(COO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)	120.5910	1.143	2	120.5910	1.306	2	120.5447	1.729	6	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)	121.1690	0.000	1	121.1690	0.000	1	120.5447	1.729	6	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OIr)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(COO)	O(CC[5x3,5x5,20x6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OIr)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(COO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)	119.3230	0.000	1	119.3230	0.000	1	120.5447	1.729	6	121.2865	2.388	11	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]O)	O(CC[5x3,5x5,20x6]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]O){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]C[6a])	118.0455	0.029	2	118.0455	0.001	2	118.0455	0.001	2	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]O)	O(CC[5x3,5x5,20x6]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]O){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]C[6a])	117.1878	0.969	5	117.1878	0.938	5	117.2443	0.943	7	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]O)	O(CC[5x3,5x5,20x6]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]O){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]C[6a])	116.4240	0.000	1	116.4240	0.000	1	117.2443	0.943	7	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]O)	O(CC[5x3,5x5,20x6]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]O){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]C[6a])	118.3470	0.000	1	118.3470	0.000	1	117.2443	0.943	7	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NCH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NCH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CNO){1|B<6>,1|C<3>,4|H<1>}	O(CC[5x3,5x5,20x6]N)	119.7200	1.032	7	119.7200	1.065	7	120.5394	2.163	13	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CNO){1|B<6>,1|C<3>,4|H<1>}	O(CC[5x3,5x5,20x6]N)	120.3875	0.042	2	120.3875	0.002	2	120.5394	2.163	13	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CNO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N)	121.8090	0.000	1	121.8090	0.000	1	120.5394	2.163	13	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CNO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N)	120.1920	0.000	1	120.1920	0.000	1	120.5394	2.163	13	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)2(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)2(CNO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N)	123.1180	0.000	1	123.1180	0.000	1	120.5394	2.163	13	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NIrS)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NIrS)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CNO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N)	123.0780	0.000	1	123.0780	0.000	1	120.5394	2.163	13	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N)	119.6390	0.000	1	119.6390	0.000	1	119.8800	0.449	8	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CNO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N)	120.2320	0.000	1	120.2320	0.000	1	119.8800	0.449	8	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CNO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N)	119.0485	0.251	2	119.0485	0.063	2	119.8800	0.449	8	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO)	O(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N)	120.2680	0.553	4	120.2680	0.305	4	119.8800	0.449	8	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N[5]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CN[5]O)	O(CC[5x3,5x5,20x6]N[5])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CN[5]O){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N[5])	118.3100	0.000	1	118.3100	0.000	1	118.0562	0.057	5	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N[5]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CN[5]O)	O(CC[5x3,5x5,20x6]N[5])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CN[5]O){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N[5])	118.1800	0.000	1	118.1800	0.000	1	118.0562	0.057	5	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N[5]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)2(CN[5]O)	O(CC[5x3,5x5,20x6]N[5])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)2(CN[5]O){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N[5])	117.6980	0.000	1	117.6980	0.000	1	118.0562	0.057	5	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	863	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N[5]-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CN[5]O)	O(CC[5x3,5x5,20x6]N[5])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5]C[5]2)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CN[5]O){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]N[5])	118.0465	0.138	2	118.0465	0.019	2	118.0562	0.057	5	119.2324	2.881	35	119.7236	3.492	46	119.7236	3.492	46
930	362	893	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:1:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(COO)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(COO){1|B<6>,1|S<2>,4|H<1>}	O(CC[5x3,5x5,20x6]O)(H)	113.3740	0.000	1	113.3740	0.000	1	114.0320	2.821	3	113.6357	2.029	6	112.3534	8.034	8	112.3534	8.034	8
930	362	893	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:1:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])5(COO)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])5(COO){10|C<3>,1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)(H)	115.9410	0.000	1	115.9410	0.000	1	114.0320	2.821	3	113.6357	2.029	6	112.3534	8.034	8	112.3534	8.034	8
930	362	893	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:1:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(COO)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(COO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)(H)	112.7810	0.000	1	112.7810	0.000	1	114.0320	2.821	3	113.6357	2.029	6	112.3534	8.034	8	112.3534	8.034	8
930	362	893	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:1:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(COO)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(COO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)(H)	113.5285	1.749	2	113.5285	3.058	2	113.2393	1.780	3	113.6357	2.029	6	112.3534	8.034	8	112.3534	8.034	8
930	362	893	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:1:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]O)(H)	112.6610	0.000	1	112.6610	0.000	1	113.2393	1.780	3	113.6357	2.029	6	112.3534	8.034	8	112.3534	8.034	8
930	362	893	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:2:1:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:O-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO)	O(CC[5x3,5x5,20x6]O)(CCHH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO){1|B<6>,1|I<1>,4|H<1>}	O(CC[5x3,5x5,20x6]O)(CCHH)	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	112.3534	8.034	8	112.3534	8.034	8
930	362	893	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	O	6:3:2:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:C-3:O-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCO)	O(CC[5x3,5x5,20x6]C)(CH3)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCO){1|B<6>,5|H<1>}	O(CC[5x3,5x5,20x6]C)(CH3)	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	112.3534	8.034	8	112.3534	8.034	8
930	362	909	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	S	6:2:2:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:S-2:S-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SIr)(SC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CSS)	S(CC[5x3,5x5,20x6]S)(CH3)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SIr)(SC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CSS){1|B<6>,5|H<1>}	S(CC[5x3,5x5,20x6]S)(CH3)	116.3638	0.862	6	116.3638	0.743	6	116.3638	0.743	6	116.3638	0.743	6	116.3638	0.743	6	116.3638	0.743	6
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH)	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]H)(CCC)(H)	129.8940	0.000	1	129.8940	0.000	1	130.5933	0.440	4	128.7277	10.292	6	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]H)(CCH)(H)	131.2440	0.000	1	131.2440	0.000	1	130.5933	0.440	4	128.7277	10.292	6	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]H)(CCO)(H)	130.6175	0.637	2	130.6175	0.406	2	130.5933	0.440	4	128.7277	10.292	6	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	124.9965	2.894	2	124.9965	8.376	2	124.9965	8.376	2	128.7277	10.292	6	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:4:3:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH)	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	131.3900	0.000	1	131.3900	0.000	1	131.3900	0.000	1	131.3900	0.000	1	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:2:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:O-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCO)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCO){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]O)(CCH)(H)	129.3880	0.000	1	129.3880	0.000	1	129.3880	0.000	1	129.3880	0.000	1	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:2:1:	C[5x3,5x5,20x6]-6:C-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:O-2:O-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC)	C(CC[5x3,5x5,20x6]C)(OC)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C)(OC)(O)	116.2665	0.062	2	116.2665	0.004	2	116.2956	0.330	8	116.2956	0.330	8	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:2:1:	C[5x3,5x5,20x6]-6:C-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:O-2:O-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC)	C(CC[5x3,5x5,20x6]C)(OC)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C)(OC)(O)	116.3053	0.679	6	116.3053	0.461	6	116.2956	0.330	8	116.2956	0.330	8	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[5a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC)	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]2)(H)	121.1870	0.000	1	121.1870	0.000	1	121.2685	0.013	2	121.7524	2.578	8	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[5a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC)	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]S[5a])(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]S[5a])(H)	121.3500	0.000	1	121.3500	0.000	1	121.2685	0.013	2	121.7524	2.578	8	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC)	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	121.9137	1.866	6	121.9137	3.481	6	121.9137	3.481	6	121.7524	2.578	8	122.5689	30.097	26	122.5689	30.097	26
930	362	930	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	C	6:3:3:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,20x6]-6:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]C)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C)	C(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(CCHH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]C)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(CCHH)	124.6320	0.192	2	124.6320	0.037	2	124.6320	0.037	2	124.6320	0.037	2	122.5689	30.097	26	122.5689	30.097	26
930	362	941	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:2:1:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:N-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHN)	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	122.3785	1.587	2	122.3785	2.520	2	122.3785	2.520	2	122.3785	2.520	2	119.3248	29.985	9	119.3248	29.985	9
930	362	941	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:2:2:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:N-2:S-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(SIr)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(SIr)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	117.5400	0.000	1	117.5400	0.000	1	117.6635	0.031	2	117.6635	0.031	2	119.3248	29.985	9	119.3248	29.985	9
930	362	941	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:2:2:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:N-2:S-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(SRh)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(SRh)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	117.7870	0.000	1	117.7870	0.000	1	117.6635	0.031	2	117.6635	0.031	2	119.3248	29.985	9	119.3248	29.985	9
930	362	941	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:2:4:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:N-2:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(CC3)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCN)	N(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(CC3)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	119.3248	29.985	9	119.3248	29.985	9
930	362	941	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:2:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:N-3:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	120.6573	46.735	4	119.3248	29.985	9	119.3248	29.985	9
930	362	941	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:2:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:N-3:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6]-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	115.2370	0.000	1	115.2370	0.000	1	115.2370	0.000	1	120.6573	46.735	4	119.3248	29.985	9	119.3248	29.985	9
930	362	941	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:2:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:N-3:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSnC)(NC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Sn)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSnC)(NC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Sn)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)	126.5630	0.471	2	126.5630	0.222	2	126.5630	0.222	2	120.6573	46.735	4	119.3248	29.985	9	119.3248	29.985	9
930	362	951	0:SP2_SP-NON_SPD6	C	C[5x3,5x5,20x6]	H	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHN)	H(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHN){1|B<6>,5|H<1>}	H(CC[5x3,5x5,20x6]N)	118.8120	0.798	2	118.8120	0.636	2	118.8120	0.636	2	118.8120	0.636	2	115.8736	16.299	11	115.8736	16.299	11
930	362	951	0:SP2_SP-NON_SPD6	C	C[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH)	H(CC[5x3,5x5,20x6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH){1|B<6>,5|H<1>}	H(CC[5x3,5x5,20x6]C)	114.2830	0.000	1	114.2830	0.000	1	115.4373	2.405	7	116.3050	8.084	8	115.8736	16.299	11	115.8736	16.299	11
930	362	951	0:SP2_SP-NON_SPD6	C	C[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH)	H(CC[5x3,5x5,20x6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCH){1|B<6>,5|H<1>}	H(CC[5x3,5x5,20x6]C)	114.7030	0.302	4	114.7030	0.091	4	115.4373	2.405	7	116.3050	8.084	8	115.8736	16.299	11	115.8736	16.299	11
930	362	951	0:SP2_SP-NON_SPD6	C	C[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	H(CC[5x3,5x5,20x6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,5|H<1>}	H(CC[5x3,5x5,20x6]C)	117.4830	1.515	2	117.4830	2.294	2	115.4373	2.405	7	116.3050	8.084	8	115.8736	16.299	11	115.8736	16.299	11
930	362	951	0:SP2_SP-NON_SPD6	C	C[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]Pd)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Pd)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHN)	H(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]Pd)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Pd)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHN){1|B<6>,2|C<3>,5|H<1>}	H(CC[5x3,5x5,20x6]N)	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	116.3050	8.084	8	115.8736	16.299	11	115.8736	16.299	11
930	362	951	0:SP2_SP-NON_SPD6	C	C[5x3,5x5,20x6]	H	6:6:1:	6:6:6:6:6:3:	3:	B[3x3,3x5,12x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CB[3x3,3x5,12x6]H)	H(CB[3x3,3x5,12x6]C[5x3,5x5,20x6])	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CB[3x3,3x5,12x6]H){1|B<6>,5|H<1>}	H(CB[3x3,3x5,12x6]C[5x3,5x5,20x6])	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	115.8736	16.299	11	115.8736	16.299	11
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:1:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CNO)	N(CC[5x3,5x5,20x6]O)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CNO){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]O)(H)2	117.2240	0.000	1	117.2240	0.000	1	117.2240	0.000	1	117.2240	0.000	1	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CNO)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CNO){1|B<6>,1|C<3>,4|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	114.6520	0.157	2	114.6520	0.025	2	114.7430	0.037	3	114.2827	1.822	13	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CNO)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CNO){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	114.9250	0.000	1	114.9250	0.000	1	114.7430	0.037	3	114.2827	1.822	13	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CNO)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CNO){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	116.3630	0.622	2	116.3630	0.387	2	114.9790	1.407	6	114.2827	1.822	13	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	114.2870	0.547	4	114.2870	0.300	4	114.9790	1.407	6	114.2827	1.822	13	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[6a]-3:C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CNO){1|B<6>,5|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	114.2827	1.822	13	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:S-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	112.4247	0.655	3	112.4247	0.429	3	112.4247	0.429	3	114.2827	1.822	13	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NCH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CNO)	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NCH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CNO){1|B<6>,1|C<3>,4|H<1>}	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	115.7260	1.010	7	115.7260	1.020	7	115.7260	1.020	7	115.6121	0.879	9	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:S-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)2(CNO)	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)2(CNO){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	115.6121	0.879	9	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:1:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO)	N(CC[5x3,5x5,20x6]O)(CCHH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]O)(CCHH)(H)	114.7140	0.000	1	114.7140	0.000	1	114.7140	0.000	1	115.6121	0.879	9	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:2:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:S-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(SIr)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(SIr)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:2:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]N)	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]N){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCoC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Co)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCoC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Co)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	113.5487	3.235	4	113.5487	10.468	4	114.0124	7.662	11	114.2281	9.481	14	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCrC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cr)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCrC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cr)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	113.6730	0.991	2	113.6730	0.983	2	114.0124	7.662	11	114.2281	9.481	14	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCuC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cu)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCuC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cu)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	114.1660	0.000	1	114.1660	0.000	1	114.0124	7.662	11	114.2281	9.481	14	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NLiC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Li)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NLiC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Li)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	112.4010	0.000	1	112.4010	0.000	1	114.0124	7.662	11	114.2281	9.481	14	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSbC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Sb)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSbC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Sb)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	112.8560	0.000	1	112.8560	0.000	1	114.0124	7.662	11	114.2281	9.481	14	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSnC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Sn)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSnC)(NCH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Sn)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	116.5860	5.093	2	116.5860	25.934	2	114.0124	7.662	11	114.2281	9.481	14	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6]-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Ni)(NC[6]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ni)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Ni)(NC[6]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ni)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	120.4120	0.000	1	120.4120	0.000	1	115.0190	22.124	3	114.2281	9.481	14	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP2_SPD6	C	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-3:	C-3:C[6]-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Sn)(NC[6]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Sn)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Sn)(NC[6]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Sn)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	112.3225	0.788	2	112.3225	0.622	2	115.0190	22.124	3	114.2281	9.481	14	114.6028	5.423	40	114.6028	5.423	40
930	362	956	0:SP2_SP3_SPD6	C	C[5x3,5x5,20x6]	N	6:3:2:	6:6:6:6:6:3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:C[6]-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN){1|B<6>,5|H<1>}	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1
930	362	977	0:SP2_SP-NON_SPD6	C	C[5x3,5x5,20x6]	S	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:S-2:S-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SIr)(S)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CSS)	S(CC[5x3,5x5,20x6]S)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SIr)(S)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CSS){1|B<6>,5|H<1>}	S(CC[5x3,5x5,20x6]S)	119.8115	0.156	2	119.8115	0.024	2	119.8115	0.024	2	119.8115	0.024	2	120.8062	0.877	5	120.8062	0.877	5
930	362	977	0:SP2_SP-NON_SPD6	C	C[5x3,5x5,20x6]	S	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:N-3:S-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS)	S(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS){1|B<6>,5|H<1>}	S(CC[5x3,5x5,20x6]N)	121.4693	0.306	3	121.4693	0.093	3	121.4693	0.093	3	121.4693	0.093	3	120.8062	0.877	5	120.8062	0.877	5
930	390	992	0:SP2_SP-NON_SP3	C	Ge	P	4:4:1:	3:	3:3:3:2:	P-4:P-4:Ge-1:	C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PGe[5,5]C[6a]2)(PC[6a]2N)(Ge)	Ge(CPP)	P(C[6a]C[6a]2)2(CGeP)(NSi)	C(PGe[5,5]C[6a]2)(PC[6a]2N)(Ge)	Ge(CPP)	P(C[6a]C[6a]2)2(CGeP)(NSi)	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	120.4040	3.792	2	120.4040	3.792	2
930	390	992	0:SP2_SP-NON_SP3	C	Ge	P	4:4:1:	3:	4:3:3:3:	P-4:P-4:Ge-1:	C-3:	Ge[5,5]-4:C[6a]-3:C[6a]-3:C-3:	C(PGe[5,5]C[6a]2)(PC[6a]2N)(Ge)	Ge(CPP)	P(Ge[5,5]Ge[5,5]C[5]2)(C[6a]C[6a]2)2(CGeP)	C(PGe[5,5]C[6a]2)(PC[6a]2N)(Ge)	Ge(CPP)	P(Ge[5,5]Ge[5,5]C[5]2)(C[6a]C[6a]2)2(CGeP)	121.7810	0.000	1	121.7810	0.000	1	121.7810	0.000	1	121.7810	0.000	1	120.4040	3.792	2	120.4040	3.792	2
930	394	490	0:SP2_SP3_SPD5	C	P[5,5]	C	5:3:4:	2:2:2:2:3:	3:4:4:4:	P[5,5]-5:C[6]-3:C-4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:C-3:	C-3:C-4:C-4:C-4:	C(P[5,5]O[5]4)(C[6]N[6]2)(CC3)	P[5,5](O[5]C[5,6a])4(CC[6]C)	C(CP[5,5]C[6])(CH3)3	C(P[5,5]O[5]4)(C[6]N[6]2)(CC3)	P[5,5](O[5]C[5,6a])4(CC[6]C){4|C<3>}	C(CP[5,5]C[6])(CH3)3	112.7710	0.000	1	112.7710	0.000	1	112.7710	0.000	1	112.7710	0.000	1	112.7710	0.000	1	112.7710	0.000	1
930	394	762	0:SP2_SP2_SPD5	C	P[5,5]	C[6]	5:3:4:	2:2:2:2:3:	3:3:3:	P[5,5]-5:C[6]-3:C-4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:C-3:	N[6]-3:N[6]-3:C-3:	C(P[5,5]O[5]4)(C[6]N[6]2)(CC3)	P[5,5](O[5]C[5,6a])4(CC[6]C)	C[6](N[6]C[6a]C[6])2(CP[5,5]C)	C(P[5,5]O[5]4)(C[6]N[6]2)(CC3)	P[5,5](O[5]C[5,6a])4(CC[6]C){4|C<3>}	C[6](N[6]C[6a]C[6])2(CP[5,5]C){1|C<4>,2|O<1>,4|C<3>}	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1
930	426	863	0:SP2_SP2_SPD6	C	C[5x4]	O	6:3:1:	5:4:5:4:4:3:	3:	C[5x4]-6:N-3:O-1:	C[5x4]-5:C[3,3x4]-4:C[3,4,4]-5:C[3x4]-4:C-4:C-3:	C-3:	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO)	O(CC[5x4]N)	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO){1|H<2>,2|H<1>}	O(CC[5x4]N)	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1
930	426	956	0:SP2_SP2_SPD6	C	C[5x4]	N	6:3:1:	5:4:5:4:4:3:	3:3:1:	C[5x4]-6:N-3:O-1:	C[5x4]-5:C[3,3x4]-4:C[3,4,4]-5:C[3x4]-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO)	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO){1|H<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[5x4]O)(H)	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1
930	430	466	0:SP2_SP-NON_SP3	C	Se	C[6,6]	4:3:1:	3:	4:4:3:2:	C[6,6]-4:N-3:Se-1:	C-3:	C[3x6]-4:C[3x6]-4:C-3:O-2:	C(C[6,6]C[3x6]2O)(NCC)(Se)	Se(CC[6,6]N)	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH)	C(C[6,6]C[3x6]2O)(NCC)(Se)	Se(CC[6,6]N)	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH){2|C<4>,8|H<1>}	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1
930	430	490	0:SP2_SP-NON_SP3	C	Se	C	3:4:1:	3:	3:1:1:1:	N[5]-3:C-4:Se-1:	C-3:	C-3:H-1:H-1:H-1:	C(N[5]C[5]2)(CH3)(Se)	Se(CN[5]C)	C(CN[5]Se)(H)3	C(N[5]C[5]2)(CH3)(Se)	Se(CN[5]C)	C(CN[5]Se)(H)3	121.2700	1.298	2	121.2700	1.685	2	121.2700	1.685	2	121.2700	1.685	2	120.7463	1.665	3	120.7463	1.665	3
930	430	490	0:SP2_SP-NON_SP3	C	Se	C	4:3:1:	3:	4:4:3:1:	C-4:N-3:Se-1:	C-3:	C-4:C-4:C-3:H-1:	C(CCCH)(NCC)(Se)	Se(CCN)	C(CCHH)(CCHO)(CSeN)(H)	C(CCCH)(NCC)(Se)	Se(CCN)	C(CCHH)(CCHO)(CSeN)(H)	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	120.7463	1.665	3	120.7463	1.665	3
930	430	542	0:SP2_SP-NON_SP2	C	Se	N[5]	3:3:1:	3:	4:4:3:	N[5]-3:C-3:Se-1:	C-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCH)(Se)	Se(CN[5]C)	N[5](C[5]C[5]HH)2(CSeC)	C(N[5]C[5]2)(CCH)(Se)	Se(CN[5]C)	N[5](C[5]C[5]HH)2(CSeC){4|H<1>}	121.4580	0.427	2	121.4580	0.182	2	123.1413	8.592	3	121.8417	4.471	7	121.9142	3.379	9	121.9142	3.379	9
930	430	542	0:SP2_SP-NON_SP2	C	Se	N[5]	3:3:1:	3:	4:4:3:	N[5]-3:C-3:Se-1:	C-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[5a]O)(Se)	Se(CN[5]C)	N[5](C[5]C[5]HH)2(CSeC)	C(N[5]C[5]2)(CC[5a]O)(Se)	Se(CN[5]C)	N[5](C[5]C[5]HH)2(CSeC){4|H<1>}	126.5080	0.000	1	126.5080	0.000	1	123.1413	8.592	3	121.8417	4.471	7	121.9142	3.379	9	121.9142	3.379	9
930	430	542	0:SP2_SP-NON_SP2	C	Se	N[5]	3:3:1:	3:	4:4:3:	N[5]-3:N-3:Se-1:	C-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(NCH)(Se)	Se(CN[5]N)	N[5](C[5]C[5]HH)2(CSeN)	C(N[5]C[5]2)(NCH)(Se)	Se(CN[5]N)	N[5](C[5]C[5]HH)2(CSeN){4|H<1>}	120.6345	0.738	2	120.6345	0.544	2	120.8670	0.258	4	121.8417	4.471	7	121.9142	3.379	9	121.9142	3.379	9
930	430	542	0:SP2_SP-NON_SP2	C	Se	N[5]	3:3:1:	3:	4:4:3:	N[5]-3:N-3:Se-1:	C-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(NC[6]H)(Se)	Se(CN[5]N)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN)	C(N[5]C[5]2)(NC[6]H)(Se)	Se(CN[5]N)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN){4|H<1>}	121.1830	0.000	1	121.1830	0.000	1	120.8670	0.258	4	121.8417	4.471	7	121.9142	3.379	9	121.9142	3.379	9
930	430	542	0:SP2_SP-NON_SP2	C	Se	N[5]	3:3:1:	3:	4:4:3:	N[5]-3:N-3:Se-1:	C-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(NC[6]H)(Se)	Se(CN[5]N)	N[5](C[5]C[5]HH)2(CSeN)	C(N[5]C[5]2)(NC[6]H)(Se)	Se(CN[5]N)	N[5](C[5]C[5]HH)2(CSeN){4|H<1>}	121.0160	0.000	1	121.0160	0.000	1	120.8670	0.258	4	121.8417	4.471	7	121.9142	3.379	9	121.9142	3.379	9
930	430	542	0:SP2_SP-NON_SP2	C	Se	N[5]	3:4:1:	3:	4:4:3:	N[5]-3:C-4:Se-1:	C-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(Se)	Se(CN[5]C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC)	C(N[5]C[5]2)(CH3)(Se)	Se(CN[5]C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC){4|H<1>}	122.1680	0.195	2	122.1680	0.038	2	122.1680	0.038	2	122.1680	0.038	2	121.9142	3.379	9	121.9142	3.379	9
930	430	643	0:SP2_SP-NON_SP2	C	Se	C[6a]	3:3:1:	3:	3:3:3:	C[6a]-3:C-3:Se-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(Se)	Se(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CSeC)	C(C[6a]C[6a]2)(CC[6a]S)(Se)	Se(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	117.4947	22.518	3	117.4947	22.518	3	117.4947	22.518	3
930	430	643	0:SP2_SP-NON_SP2	C	Se	C[6a]	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:Se-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCH)(Se)	Se(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CSeN)	C(C[6a]C[6a]2)(NCH)(Se)	Se(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CSeN){1|C<3>,2|H<1>}	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	117.4947	22.518	3	117.4947	22.518	3	117.4947	22.518	3
930	430	643	0:SP2_SP-NON_SP2	C	Se	C[6a]	3:3:1:	3:	3:3:3:	N[6]-3:C[6a]-3:Se-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Se)	Se(CC[6a]N[6])	C[6a](C[6a]C[6a]H)2(CN[6]Se)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Se)	Se(CC[6a]N[6])	C[6a](C[6a]C[6a]H)2(CN[6]Se){1|C<3>,2|H<1>}	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	117.4947	22.518	3	117.4947	22.518	3	117.4947	22.518	3
930	430	762	0:SP2_SP-NON_SP2	C	Se	C[6]	3:2:1:	3:	3:4:3:	C[6]-3:O-2:Se-1:	C-3:	C[6]-3:C[6]-4:C-3:	C(C[6]C[6]2)(OC)(Se)	Se(CC[6]O)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO)	C(C[6]C[6]2)(OC)(Se)	Se(CC[6]O)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO){3|C<3>,3|C<4>}	123.1280	0.000	1	123.1280	0.000	1	123.1280	0.000	1	123.1280	0.000	1	123.1280	0.000	1	123.1280	0.000	1
930	430	846	0:SP2_SP-NON_SP2	C	Se	C[4]	3:2:1:	3:	4:3:3:	C[4]-3:O-2:Se-1:	C-3:	C[4,5,6]-4:C[4]-3:C-3:	C(C[4]C[4,5,6]C[4])(OC)(Se)	Se(CC[4]O)	C[4](C[4,5,6]C[4,6]N[5,6]O[5])(C[4]C[4,6]C[6a])(CSeO)	C(C[4]C[4,5,6]C[4])(OC)(Se)	Se(CC[4]O)	C[4](C[4,5,6]C[4,6]N[5,6]O[5])(C[4]C[4,6]C[6a])(CSeO){3|C<3>,4|C<4>}	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1
930	430	856	0:SP2_SP-NON_SP2	C	Se	N[6]	3:2:1:	3:	4:4:3:	N[6]-3:N-2:Se-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(N[6]C[6]2)(NN)(Se)	Se(CN[6]N)	N[6](C[6]C[6]HH)2(CSeN)	C(N[6]C[6]2)(NN)(Se)	Se(CN[6]N)	N[6](C[6]C[6]HH)2(CSeN){1|C<4>,4|H<1>}	121.7310	0.000	1	121.7310	0.000	1	121.7310	0.000	1	121.7310	0.000	1	122.7063	4.407	6	122.7063	4.407	6
930	430	856	0:SP2_SP-NON_SP2	C	Se	N[6]	3:3:1:	3:	3:4:3:	N[6]-3:C[6a]-3:Se-1:	C-3:	C[6,6a]-3:C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Se)	Se(CC[6a]N[6])	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Se)	Se(CC[6a]N[6])	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2230	0.000	1	122.2230	0.000	1	122.2230	0.000	1	122.2230	0.000	1	122.7063	4.407	6	122.7063	4.407	6
930	430	856	0:SP2_SP-NON_SP2	C	Se	N[6]	3:3:1:	3:	4:4:3:	N[6]-3:C-3:Se-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(N[6]C[6]2)(CC[5a]O)(Se)	Se(CN[6]C)	N[6](C[6]C[6]HH)2(CSeC)	C(N[6]C[6]2)(CC[5a]O)(Se)	Se(CN[6]C)	N[6](C[6]C[6]HH)2(CSeC){1|C<4>,4|H<1>}	126.9680	0.000	1	126.9680	0.000	1	126.9680	0.000	1	123.0710	6.772	4	122.7063	4.407	6	122.7063	4.407	6
930	430	856	0:SP2_SP-NON_SP2	C	Se	N[6]	3:3:1:	3:	4:4:3:	N[6]-3:N-3:Se-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(N[6]C[6]2)(NC[6]H)(Se)	Se(CN[6]N)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN)	C(N[6]C[6]2)(NC[6]H)(Se)	Se(CN[6]N)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN){2|C<3>,2|H<1>}	121.5790	0.000	1	121.5790	0.000	1	121.7720	0.034	3	123.0710	6.772	4	122.7063	4.407	6	122.7063	4.407	6
930	430	856	0:SP2_SP-NON_SP2	C	Se	N[6]	3:3:1:	3:	4:4:3:	N[6]-3:N-3:Se-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(N[6]C[6]2)(NC[6]H)(Se)	Se(CN[6]N)	N[6](C[6]C[6]HH)2(CSeN)	C(N[6]C[6]2)(NC[6]H)(Se)	Se(CN[6]N)	N[6](C[6]C[6]HH)2(CSeN){1|C<4>,4|H<1>}	121.8685	0.108	2	121.8685	0.012	2	121.7720	0.034	3	123.0710	6.772	4	122.7063	4.407	6	122.7063	4.407	6
930	430	880	0:SP2_SP-NON_SP3	C	Se	Si	4:3:1:	3:	3:4:4:4:	Si-4:N-3:Se-1:	C-3:	C-3:C-4:C-4:C-4:	C(SiC3)(NCC)(Se)	Se(CSiN)	Si(CSeN)(CH3)3	C(SiC3)(NCC)(Se)	Se(CSiN)	Si(CSeN)(CH3)3	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1
930	430	893	0:SP2_SP-NON_SP2	C	Se	O	3:2:1:	3:	3:4:	C[4]-3:O-2:Se-1:	C-3:	C-3:C-4:	C(C[4]C[4,5,6]C[4])(OC)(Se)	Se(CC[4]O)	O(CC[4]Se)(CCHH)	C(C[4]C[4,5,6]C[4])(OC)(Se)	Se(CC[4]O)	O(CC[4]Se)(CCHH)	125.5630	0.000	1	125.5630	0.000	1	125.5630	0.000	1	124.4490	2.482	2	124.4490	2.482	2	124.4490	2.482	2
930	430	893	0:SP2_SP-NON_SP2	C	Se	O	3:2:1:	3:	3:4:	C[6]-3:O-2:Se-1:	C-3:	C-3:C-4:	C(C[6]C[6]2)(OC)(Se)	Se(CC[6]O)	O(CC[6]Se)(CCHH)	C(C[6]C[6]2)(OC)(Se)	Se(CC[6]O)	O(CC[6]Se)(CCHH)	123.3350	0.000	1	123.3350	0.000	1	123.3350	0.000	1	124.4490	2.482	2	124.4490	2.482	2	124.4490	2.482	2
930	430	921	0:SP2_SP-NON_SP3	C	Se	Se	2:3:1:	3:	3:2:	Se-2:N-3:Se-1:	C-3:	C-3:Se-2:	C(SeSe)(NCC)(Se)	Se(CSeN)	Se(CSeN)(SeSe)	C(SeSe)(NCC)(Se)	Se(CSeN)	Se(CSeN)(SeSe)	117.1480	0.266	2	117.1480	0.071	2	117.1480	0.071	2	117.1480	0.071	2	117.1480	0.071	2	117.1480	0.071	2
930	430	930	0:SP2_SP-NON_SP2	C	Se	C	3:3:1:	3:	3:3:1:	C-3:N-3:Se-1:	C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(NCC)(Se)	Se(CCN)	C(C[6a]C[6a]2)(CSeN)(O)	C(CC[6a]O)(NCC)(Se)	Se(CCN)	C(C[6a]C[6a]2)(CSeN)(O)	112.5770	0.413	4	112.5770	0.170	4	112.4064	0.273	5	114.9481	14.269	9	115.7521	19.147	10	115.7521	19.147	10
930	430	930	0:SP2_SP-NON_SP2	C	Se	C	3:3:1:	3:	3:3:1:	C-3:N-3:Se-1:	C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(NCC)(Se)	Se(CCN)	C(C[6a]C[6a]N[6a])(CSeN)(O)	C(CC[6a]O)(NCC)(Se)	Se(CCN)	C(C[6a]C[6a]N[6a])(CSeN)(O)	111.7240	0.000	1	111.7240	0.000	1	112.4064	0.273	5	114.9481	14.269	9	115.7521	19.147	10	115.7521	19.147	10
930	430	930	0:SP2_SP-NON_SP2	C	Se	C	3:3:1:	3:	3:3:1:	N[5]-3:C-3:Se-1:	C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(Se)	Se(CN[5]C)	C(CN[5]Se)(CCH)(H)	C(N[5]C[5]2)(CCH)(Se)	Se(CN[5]C)	C(CN[5]Se)(CCH)(H)	121.1190	1.311	2	121.1190	1.719	2	121.1190	1.719	2	114.9481	14.269	9	115.7521	19.147	10	115.7521	19.147	10
930	430	930	0:SP2_SP-NON_SP2	C	Se	C	3:3:1:	3:	3:3:1:	N[5]-3:C-3:Se-1:	C-3:	C[5a]-3:C-3:O-1:	C(N[5]C[5]2)(CC[5a]O)(Se)	Se(CN[5]C)	C(C[5a]C[5a]S[5a])(CN[5]Se)(O)	C(N[5]C[5]2)(CC[5a]O)(Se)	Se(CN[5]C)	C(C[5a]C[5a]S[5a])(CN[5]Se)(O)	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	114.9481	14.269	9	115.7521	19.147	10	115.7521	19.147	10
930	430	930	0:SP2_SP-NON_SP2	C	Se	C	3:3:1:	3:	3:3:1:	N[6]-3:C-3:Se-1:	C-3:	C[5a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[5a]O)(Se)	Se(CN[6]C)	C(C[5a]C[5a]N[5a])(CN[6]Se)(O)	C(N[6]C[6]2)(CC[5a]O)(Se)	Se(CN[6]C)	C(C[5a]C[5a]N[5a])(CN[6]Se)(O)	113.9460	0.000	1	113.9460	0.000	1	113.9460	0.000	1	114.9481	14.269	9	115.7521	19.147	10	115.7521	19.147	10
930	430	930	0:SP2_SP-NON_SP2	C	Se	C	3:3:1:	3:	3:4:3:	C[6a]-3:C-3:Se-1:	C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(Se)	Se(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	C(C[6a]C[6a]2)(CC[6a]S)(Se)	Se(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	115.7521	19.147	10	115.7521	19.147	10
930	430	941	0:SP2_SP-NON_SP2	C	Se	N	2:3:1:	3:	3:3:	N-2:N-3:Se-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(NCH)(Se)	Se(CNN)	N(C[6a]C[6a]2)(CSeN)	C(NC[6a])(NCH)(Se)	Se(CNN)	N(C[6a]C[6a]2)(CSeN)	129.0530	0.000	1	129.0530	0.000	1	129.0530	0.000	1	129.0530	0.000	1	122.3942	22.566	5	122.3942	22.566	5
930	430	941	0:SP2_SP-NON_SP2	C	Se	N	3:2:1:	3:	3:1:	N-3:N-2:Se-1:	C-3:	C-3:H-1:	C(NHN)(NH)(Se)	Se(CNN)	N(CSeN)(H)	C(NHN)(NH)(Se)	Se(CNN)	N(CSeN)(H)	123.1410	0.000	1	123.1410	0.000	1	123.1410	0.000	1	123.1410	0.000	1	122.3942	22.566	5	122.3942	22.566	5
930	430	941	0:SP2_SP-NON_SP2	C	Se	N	3:2:1:	3:	3:3:	N-3:N-2:Se-1:	C-3:	C-3:C-3:	C(NCC)(NC)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)	C(NCC)(NC)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)	117.8010	0.000	2	117.8010	0.000	2	117.8010	0.000	2	119.9257	13.543	3	122.3942	22.566	5	122.3942	22.566	5
930	430	941	0:SP2_SP-NON_SP2	C	Se	N	3:2:1:	3:	3:3:	N[6]-3:N-2:Se-1:	C-3:	C-3:N-3:	C(N[6]C[6]2)(NN)(Se)	Se(CN[6]N)	N(CN[6]Se)(NCH)	C(N[6]C[6]2)(NN)(Se)	Se(CN[6]N)	N(CN[6]Se)(NCH)	124.1750	0.000	1	124.1750	0.000	1	124.1750	0.000	1	119.9257	13.543	3	122.3942	22.566	5	122.3942	22.566	5
930	430	951	0:SP2_SP-NON_SP-NON	C	Se	H	3:1:1:	3:	3:	N-3:Se-1:H-1:	C-3:	C-3:	C(NCC)(Se)(H)	Se(CHN)	H(CSeN)	C(NCC)(Se)(H)	Se(CHN)	H(CSeN)	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	2:3:1:	3:	3:3:1:	N-2:N-3:Se-1:	C-3:	C-3:C-3:H-1:	C(NC[6a])(NCH)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)(H)	C(NC[6a])(NCH)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)(H)	114.7350	0.000	1	114.7350	0.000	1	114.7350	0.000	1	114.7350	0.000	1	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	2:3:1:	3:	4:4:3:	Se-2:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(SeSe)(NCC)(Se)	Se(CSeN)	N(CCHH)2(CSe2)	C(SeSe)(NCC)(Se)	Se(CSeN)	N(CCHH)2(CSe2)	124.1215	0.080	2	124.1215	0.006	2	124.1215	0.006	2	124.1215	0.006	2	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:1:1:	3:	4:4:3:	N-3:Se-1:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(Se)(H)	Se(CHN)	N(CC[6a]HH)2(CSeH)	C(NCC)(Se)(H)	Se(CHN)	N(CC[6a]HH)2(CSeH)	128.1270	0.000	1	128.1270	0.000	1	128.1270	0.000	1	128.1270	0.000	1	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:2:1:	3:	3:2:1:	N-3:N-2:Se-1:	C-3:	C-3:N-2:H-1:	C(NHN)(NH)(Se)	Se(CNN)	N(CSeN)(NC)(H)	C(NHN)(NH)(Se)	Se(CNN)	N(CSeN)(NC)(H)	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:2:1:	3:	4:4:3:	N-3:N-2:Se-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NC)(Se)	Se(CNN)	N(CCHH)2(CSeN)	C(NCC)(NC)(Se)	Se(CNN)	N(CCHH)2(CSeN)	125.9810	0.000	2	125.9810	0.000	2	125.9810	0.000	2	125.9810	0.000	2	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:1:1:	N-3:N-3:Se-1:	C-3:	C-3:H-1:H-1:	C(NHH)(NHN)(Se)	Se(CNN)	N(CSeN)(H)2	C(NHH)(NHN)(Se)	Se(CNN)	N(CSeN)(H)2	122.3280	0.000	1	122.3280	0.000	1	122.3280	0.000	1	122.3280	0.000	1	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:2:1:	N-3:N-3:Se-1:	C-3:	C-3:N-2:H-1:	C(NHH)(NHN)(Se)	Se(CNN)	N(CSeN)(NC)(H)	C(NHH)(NHN)(Se)	Se(CNN)	N(CSeN)(NC)(H)	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:3:1:	N-3:N-3:Se-1:	C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)(H)	C(NCC)(NCH)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)(H)	117.8050	0.816	3	117.8050	0.666	3	117.7970	0.444	4	119.0906	8.700	5	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:3:1:	N-3:N-3:Se-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)(H)	C(NC[6a]H)(NCH)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)(H)	117.7730	0.000	1	117.7730	0.000	1	117.7970	0.444	4	119.0906	8.700	5	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:3:1:	N-3:N-3:Se-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(Se)	Se(CNN)	N(C[6a]C[6a]2)(CSeN)(H)	C(NC[6a]H)(NCH)(Se)	Se(CNN)	N(C[6a]C[6a]2)(CSeN)(H)	124.2650	0.000	1	124.2650	0.000	1	124.2650	0.000	1	119.0906	8.700	5	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:Se-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(Se)	Se(CC[6a]N)	N(CC[6a]Se)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(Se)	Se(CC[6a]N)	N(CC[6a]Se)(CCHH)(H)	122.7500	0.000	1	122.7500	0.000	1	122.7500	0.000	1	123.0865	1.915	4	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:4:1:	N-3:N-3:Se-1:	C-3:	C-3:C-4:H-1:	C(NCC)(NCH)(Se)	Se(CNN)	N(CSeN)(CC3)(H)	C(NCC)(NCH)(Se)	Se(CNN)	N(CSeN)(CC3)(H)	123.3900	0.000	1	123.3900	0.000	1	123.3900	0.000	1	123.0865	1.915	4	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:4:1:	N[5]-3:N-3:Se-1:	C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(Se)	Se(CN[5]N)	N(CN[5]Se)(CC3)(H)	C(N[5]C[5]2)(NCH)(Se)	Se(CN[5]N)	N(CN[5]Se)(CC3)(H)	124.7670	0.000	1	124.7670	0.000	1	123.1030	5.538	2	123.0865	1.915	4	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:4:1:	N[5]-3:N-3:Se-1:	C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(Se)	Se(CN[5]N)	N(CN[5]Se)(CCHH)(H)	C(N[5]C[5]2)(NCH)(Se)	Se(CN[5]N)	N(CN[5]Se)(CCHH)(H)	121.4390	0.000	1	121.4390	0.000	1	123.1030	5.538	2	123.0865	1.915	4	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:4:4:	N-3:N-3:Se-1:	C-3:	C-3:C-4:C-4:	C(NCC)(NCH)(Se)	Se(CNN)	N(CSeN)(CH3)2	C(NCC)(NCH)(Se)	Se(CNN)	N(CSeN)(CH3)2	121.4580	0.000	1	121.4580	0.000	1	121.6480	0.031	3	121.6480	0.031	3	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:4:4:	N-3:N-3:Se-1:	C-3:	C-3:C-4:C-4:	C(NCC)2(Se)	Se(CNN)	N(CSeN)(CH3)2	C(NCC)2(Se)	Se(CNN)	N(CSeN)(CH3)2	121.6810	0.000	1	121.6810	0.000	1	121.6480	0.031	3	121.6480	0.031	3	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	3:4:4:	N-3:N-3:Se-1:	C-3:	C-3:C-4:C-4:	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CSeN)(CH3)2	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CSeN)(CH3)2	121.8050	0.000	1	121.8050	0.000	1	121.6480	0.031	3	121.6480	0.031	3	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:3:1:	N-3:N-3:Se-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(C[6]C[6]2H)(CSeN)(H)	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(C[6]C[6]2H)(CSeN)(H)	120.3077	0.754	6	120.3077	0.568	6	120.3077	0.568	6	120.5805	0.808	11	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:3:1:	N[5]-3:N-3:Se-1:	C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(Se)	Se(CN[5]N)	N(C[6]C[6]2H)(CN[5]Se)(H)	C(N[5]C[5]2)(NC[6]H)(Se)	Se(CN[5]N)	N(C[6]C[6]2H)(CN[5]Se)(H)	121.9270	0.013	2	121.9270	0.000	2	121.9270	0.000	2	120.5805	0.808	11	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:3:1:	N[6]-3:N-3:Se-1:	C-3:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)(Se)	Se(CN[6]N)	N(C[6]C[6]2H)(CN[6]Se)(H)	C(N[6]C[6]2)(NC[6]H)(Se)	Se(CN[6]N)	N(C[6]C[6]2H)(CN[6]Se)(H)	120.2287	0.628	3	120.2287	0.395	3	120.2287	0.395	3	120.5805	0.808	11	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:3:4:	N-3:N-3:Se-1:	C-3:	C-4:C-3:C-4:	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CCCH)(CSeN)(CH3)	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CCCH)(CSeN)(CH3)	122.7430	0.000	1	122.7430	0.000	1	122.5570	0.069	2	122.5570	0.069	2	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:3:4:	N-3:N-3:Se-1:	C-3:	C-4:C-3:C-4:	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CCHH)(CSeN)(CH3)	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CCHH)(CSeN)(CH3)	122.3710	0.000	1	122.3710	0.000	1	122.5570	0.069	2	122.5570	0.069	2	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:4:3:	C-3:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(Se)	Se(CCN)	N(CCHH)2(CSeC)	C(CC[6a]O)(NCC)(Se)	Se(CCN)	N(CCHH)2(CSeC)	127.9903	0.353	4	127.9903	0.124	4	128.1548	0.229	5	125.4513	5.965	15	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:4:3:	C-3:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(Se)	Se(CCN)	N(CC[6a]HH)2(CSeC)	C(CC[6a]O)(NCC)(Se)	Se(CCN)	N(CC[6a]HH)2(CSeC)	128.8130	0.000	1	128.8130	0.000	1	128.1548	0.229	5	125.4513	5.965	15	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:4:3:	N-3:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NCH)(Se)	Se(CNN)	N(CCHH)2(CSeN)	C(NCC)(NCH)(Se)	Se(CNN)	N(CCHH)2(CSeN)	125.0047	0.794	7	125.0047	0.630	7	124.0995	3.086	10	125.4513	5.965	15	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:4:3:	N-3:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CCCH)2(CSeN)	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CCCH)2(CSeN)	123.7650	0.000	1	123.7650	0.000	1	124.0995	3.086	10	125.4513	5.965	15	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	3:3:1:	3:	4:4:3:	N-3:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CCHH)2(CSeN)	C(NC[6]H)(NCC)(Se)	Se(CNN)	N(CCHH)2(CSeN)	121.0985	0.360	2	121.0985	0.130	2	124.0995	3.086	10	125.4513	5.965	15	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	4:3:1:	3:	3:4:4:	C[6,6]-4:N-3:Se-1:	C-3:	C-3:C-4:C-4:	C(C[6,6]C[3x6]2O)(NCC)(Se)	Se(CC[6,6]N)	N(CC[6,6]Se)(CC[6a]HH)2	C(C[6,6]C[3x6]2O)(NCC)(Se)	Se(CC[6,6]N)	N(CC[6,6]Se)(CC[6a]HH)2	120.1460	0.000	1	120.1460	0.000	1	120.1460	0.000	1	120.1460	0.000	1	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	4:3:1:	3:	4:4:3:	C-4:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(CCCH)(NCC)(Se)	Se(CCN)	N(CC[6a]HH)2(CSeC)	C(CCCH)(NCC)(Se)	Se(CCN)	N(CC[6a]HH)2(CSeC)	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.7277	0.223	3	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	4:3:1:	3:	4:4:3:	Ge-4:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(GeC3)(NCC)(Se)	Se(CGeN)	N(CC[6a]HH)2(CGeSe)	C(GeC3)(NCC)(Se)	Se(CGeN)	N(CC[6a]HH)2(CGeSe)	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	122.7277	0.223	3	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP2	C	Se	N	4:3:1:	3:	4:4:3:	Si-4:N-3:Se-1:	C-3:	C-4:C-4:C-3:	C(SiC3)(NCC)(Se)	Se(CSiN)	N(CC[6a]HH)2(CSeSi)	C(SiC3)(NCC)(Se)	Se(CSiN)	N(CC[6a]HH)2(CSeSi)	122.2330	0.000	1	122.2330	0.000	1	122.2330	0.000	1	122.7277	0.223	3	122.6008	9.925	53	122.6008	9.925	53
930	430	956	0:SP2_SP-NON_SP3	C	Se	N	3:3:1:	3:	3:3:1:	N-3:N-3:Se-1:	C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)(H)	C(NCC)(NCH)(Se)	Se(CNN)	N(CC[6a]O)(CSeN)(H)	118.9737	0.566	4	118.9737	0.321	4	118.9737	0.321	4	118.9737	0.321	4	118.9737	0.321	4	118.9737	0.321	4
930	430	992	0:SP2_SP-NON_SP3	C	Se	P	4:4:1:	3:	3:3:3:1:	P-4:P-4:Se-1:	C-3:	C[6a]-3:C[6a]-3:C-3:Se-1:	C(PC[6a]2Se)2(Se)	Se(CPP)	P(C[6a]C[6a]2)2(CSeP)(Se)	C(PC[6a]2Se)2(Se)	Se(CPP)	P(C[6a]C[6a]2)2(CSeP)(Se)	110.4930	0.530	2	110.4930	0.281	2	110.4930	0.281	2	110.4930	0.281	2	110.4930	0.281	2	110.4930	0.281	2
930	466	466	0:SP2_SP3_SP3	C	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C(C[6]C[6]2H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H)	C(C[6]C[6]2H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H){1|C<4>,3|H<1>}	122.6080	0.000	1	122.6080	0.000	1	120.3325	10.356	2	120.3325	10.356	2	121.6280	10.213	3	121.6280	10.213	3
930	466	466	0:SP2_SP3_SP3	C	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C(C[6]C[6]2H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H)	C(C[6]C[6]2H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H){1|C<4>,4|H<1>}	118.0570	0.000	1	118.0570	0.000	1	120.3325	10.356	2	120.3325	10.356	2	121.6280	10.213	3	121.6280	10.213	3
930	466	466	0:SP2_SP3_SP3	C	C[6]	C[6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H){3|C<4>,3|H<1>}	124.2190	0.000	1	124.2190	0.000	1	124.2190	0.000	1	124.2190	0.000	1	121.6280	10.213	3	121.6280	10.213	3
930	466	474	0:SP2_SP3_SP3	C	C[6,6]	C[5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C(C[6,6]C[5,6,6]2H)(C[5]C[5]2H)(CHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H)	C(C[6,6]C[5,6,6]2H)(C[5]C[5]2H)(CHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	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>}	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:1:	4:3:3:4:	4:4:3:3:	C[5]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:C-4:	C[5]-4:C[5]-4:C-3:C-3:	C(C[5]C[5]2C)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(COO)	C(C[5]C[5]2C)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(COO){1|H<1>,3|C<4>}	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:1:	4:4:3:1:	4:3:3:1:	C[5]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(C[6]C[5,6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[6]O)(H)	C(C[5]C[5,5]C[5]H)(C[6]C[5,6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	118.8810	1.450	7	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:1:	4:4:3:1:	4:3:3:1:	C[5]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:Br-1:	C(C[5]C[5,5]C[5]Br)(C[6]C[6,6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(Br)	C(C[5]C[5,5]C[5]Br)(C[6]C[6,6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(Br){1|C<3>,1|O<2>,2|C<4>}	117.9113	0.491	3	117.9113	0.241	3	117.9113	0.241	3	118.8810	1.450	7	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:1:	4:4:3:1:	4:3:3:1:	C[6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C(C[6]C[5,6]2H)(C[5]C[5]2H)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6]O)(H)	C(C[6]C[5,6]2H)(C[5]C[5]2H)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6]O)(H){1|H<1>,1|O<1>}	119.1153	0.427	3	119.1153	0.183	3	119.1153	0.183	3	118.8810	1.450	7	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:1:	4:4:3:1:	4:3:3:2:	C[5]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:O-2:	C(C[5]C[5,5]C[5]O)(C[6]C[6,6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH)	C(C[5]C[5,5]C[5]O)(C[6]C[6,6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	116.2857	0.126	3	116.2857	0.016	3	116.2857	0.016	3	117.1067	2.707	4	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:1:	4:4:3:1:	4:3:3:2:	C[5]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C(C[5]C[5]2C)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN)	C(C[5]C[5]2C)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[5]O)(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN){3|H<1>}	119.5700	0.000	1	119.5700	0.000	1	119.5700	0.000	1	117.1067	2.707	4	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:1:	4:4:3:4:	3:3:3:1:	C[6]-4:C[5]-4:O-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[5]-3:C[5]-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(C[5]C[5]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(C[5]C[5]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)(H){1|H<1>,2|C<4>}	125.9950	0.000	1	125.9950	0.000	1	125.9950	0.000	1	125.9950	0.000	1	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:1:	4:4:3:4:	4:4:3:2:	C[6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C-3:C-4:	C[5]-4:C[5]-4:C-3:O-2:	C(C[6]C[5,6]C[6]C)(C[5]C[5]2O)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC)	C(C[6]C[5,6]C[6]C)(C[5]C[5]2O)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC){1|C<4>,1|O<2>,2|H<1>}	122.3500	0.000	1	122.3500	0.000	1	122.3500	0.000	1	122.3500	0.000	1	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[3,5]-4:C[5]-4:C-3:H-1:	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	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>}	122.0445	0.271	2	122.0445	0.073	2	122.0445	0.073	2	117.4354	10.003	9	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	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>}	118.2640	0.000	1	116.3977	4.410	6	116.1186	4.220	7	117.4354	10.003	9	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	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>}	116.0244	2.114	5	116.3977	4.410	6	116.1186	4.220	7	117.4354	10.003	9	118.5397	8.682	23	118.6801	8.778	24
930	466	474	0:SP2_SP3_SP3	C	C[6]	C[5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	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>}	114.4440	0.000	1	114.4440	0.000	1	116.1186	4.220	7	117.4354	10.003	9	118.5397	8.682	23	118.6801	8.778	24
930	466	486	0:SP2_SP3_SP3	C	C[6]	C[3]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C(C[3]C[3]2H)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[3]O)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6]O)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[3]O)(H){1|C<4>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6]O)(H){2|C<3>}	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	118.5045	2.357	2	118.5045	2.357	2
930	466	486	0:SP2_SP3_SP3	C	C[6]	C[3]	4:4:1:	4:4:3:4:	4:4:3:1:	C[3]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-4:	C[3]-4:C[3]-4:C-3:H-1:	C(C[3]C[3]2H)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3)	C[3](C[3]C[3]HH)2(CC[6]O)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3){1|O<1>,2|C<3>}	C[3](C[3]C[3]HH)2(CC[6]O)(H)	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	118.5045	2.357	2	118.5045	2.357	2
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	3:4:3:3:	3:1:1:1:	C[3x6]-4:C-4:O-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C-3:H-1:H-1:H-1:	C(C[3x6]C[6,6,6a]C[6,6]2)(CH3)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	C(CC[3x6]O)(H)3	C(C[3x6]C[6,6,6a]C[6,6]2)(CH3)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(CC[3x6]O)(H)3	117.6273	0.572	3	117.6273	0.327	3	117.6273	0.327	3	117.6273	0.327	3	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	4:2:3:3:	3:1:1:1:	C[3x6]-4:C-4:O-1:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C-3:Br-1:H-1:H-1:	C(C[3x6]C[4x6]O[6,6]C[6])(CBrHH)(O)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	C(CC[3x6]O)(Br)(H)2	C(C[3x6]C[4x6]O[6,6]C[6])(CBrHH)(O)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	C(CC[3x6]O)(Br)(H)2	117.0980	2.654	2	117.0980	7.046	2	117.0980	7.046	2	117.0980	7.046	2	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	4:2:3:3:	4:3:1:1:	C[3x6]-4:C-4:O-1:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C[5,5]-4:C-3:H-1:H-1:	C(C[3x6]C[4x6]O[6,6]C[6])(CC[5,5]HH)(O)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	C(C[5,5]C[5,5]C[5]2)(CC[3x6]O)(H)2	C(C[3x6]C[4x6]O[6,6]C[6])(CC[5,5]HH)(O)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(CC[3x6]O)(H)2	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	4:4:3:3:	3:4:1:1:	C[3x6]-4:C-4:O-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C-3:C-4:H-1:H-1:	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(O)	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO)	C(CC[3x6]O)(CCHH)(H)2	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(O)	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(CC[3x6]O)(CCHH)(H)2	118.4190	0.000	1	118.4190	0.000	1	118.4190	0.000	1	118.4190	0.000	1	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[3x6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[3x6]C[6,6]3)(CH3)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO)	C(CC[3x6]O)(H)3	C(C[3x6]C[6,6]3)(CH3)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO){1|O<2>,2|H<1>,3|C<4>}	C(CC[3x6]O)(H)3	120.7290	0.000	1	120.7290	0.000	1	119.7113	0.842	3	119.7113	0.842	3	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[3x6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[3x6]C[6,6]3)(CH3)(O)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CCO)	C(CC[3x6]O)(H)3	C(C[3x6]C[6,6]3)(CH3)(O)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CCO){2|H<1>,4|C<4>}	C(CC[3x6]O)(H)3	119.2025	0.361	2	119.2025	0.131	2	119.7113	0.842	3	119.7113	0.842	3	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	4:4:4:3:	3:3:1:1:	C[3x6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	N[6]-3:C-3:H-1:H-1:	C(C[3x6]C[6,6]3)(CN[6]HH)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO)	C(N[6]C[6]2)(CC[3x6]O)(H)2	C(C[3x6]C[6,6]3)(CN[6]HH)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO){3|C<4>,3|H<1>}	C(N[6]C[6]2)(CC[3x6]O)(H)2	116.5560	0.394	3	116.5560	0.155	3	116.5560	0.155	3	116.5560	0.155	3	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	4:4:4:3:	3:3:3:1:	C[3x6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:C-3:C-3:H-1:	C(C[3x6]C[6,6]3)(CCCH)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO)	C(CC[3x6]O)(COO)2(H)	C(C[3x6]C[6,6]3)(CCCH)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO){3|C<4>,3|H<1>}	C(CC[3x6]O)(COO)2(H)	117.2430	0.000	1	117.2430	0.000	1	117.2430	0.000	1	117.2430	0.000	1	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[3x6]	C	4:4:1:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:C-4:H-1:H-1:	C(C[3x6]C[3x6]C[6,6]C[6])(CCHH)(O)	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO)	C(CC[3x6]O)(CCHH)(H)2	C(C[3x6]C[3x6]C[6,6]C[6])(CCHH)(O)	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO){1|C<3>,3|C<4>,8|H<1>}	C(CC[3x6]O)(CCHH)(H)2	124.3990	0.000	1	124.3990	0.000	1	124.3990	0.000	1	124.3990	0.000	1	118.1900	4.938	15	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	3:3:4:3:	3:4:4:1:	C[6,6]-4:C-4:O-1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C-3:C-4:C-4:H-1:	C(C[6,6]C[5,6]C[6,6]C[6])(CCCH)(O)	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO)	C(CC[6,6]O)(CCHH)(CH3)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(CCCH)(O)	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C(CC[6,6]O)(CCHH)(CH3)(H)	118.4850	0.897	2	118.4850	0.804	2	118.3030	0.501	3	118.3030	0.501	3	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	3:3:4:3:	3:4:4:1:	C[6,6]-4:C-4:O-1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C-3:C-4:C-4:H-1:	C(C[6,6]C[5,6]C[6,6]C[6])(CCCH)(O)	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO)	C(CC[6,6]O)(CH3)2(H)	C(C[6,6]C[5,6]C[6,6]C[6])(CCCH)(O)	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C(CC[6,6]O)(CH3)2(H)	117.9390	0.000	1	117.9390	0.000	1	118.3030	0.501	3	118.3030	0.501	3	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	3:4:3:3:	3:4:4:1:	C[6,6]-4:C-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C-3:C-4:C-4:H-1:	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C(CC[6,6]O)(CH3)2(H)	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C(CC[6,6]O)(CH3)2(H)	117.6000	0.740	2	117.6000	0.547	2	117.3225	0.285	4	117.3225	0.285	4	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	3:4:3:3:	3:4:4:1:	C[6,6]-4:C-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C-3:C-4:C-4:H-1:	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C(CC[6,6]O)(CCHH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C(CC[6,6]O)(CCHH)(CH3)(H)	117.0450	0.000	2	117.0450	0.000	2	117.3225	0.285	4	117.3225	0.285	4	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:3:4:3:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-3:C[6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]C[6])(CH3)(O)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6,6]C[6])(CH3)(O)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO){4|C<3>,4|C<4>,4|H<1>}	C(CC[6,6]O)(H)3	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:3:4:3:	3:4:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]C)(CCHH)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO)	C(CC[6,6]O)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]C)(CCHH)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO){3|H<1>,4|C<4>}	C(CC[6,6]O)(CCHH)(H)2	123.9510	0.000	2	123.9510	0.000	2	123.9510	0.000	2	123.9510	0.000	2	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:2:3:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C-3:H-1:H-1:H-1:	C(C[6,6]C[5,6]C[6,6]O[6])(CH3)(O)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO)	C(CC[6,6]O)(H)3	C(C[6,6]C[5,6]C[6,6]O[6])(CH3)(O)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(CC[6,6]O)(H)3	117.8860	0.205	2	117.8860	0.042	2	117.8860	0.042	2	117.8860	0.042	2	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(CC[6,6]O)(H)3	116.8370	0.000	1	116.8385	0.000	2	116.1472	0.426	6	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|O<2>,3|C<4>,3|H<1>}	C(CC[6,6]O)(H)3	116.8400	0.000	1	116.8385	0.000	2	116.1472	0.426	6	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	C(CC[6,6]O)(H)3	115.9620	0.000	1	115.9620	0.000	1	116.1472	0.426	6	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(CC[6,6]O)(H)3	115.5620	0.000	1	115.7480	0.331	3	116.1472	0.426	6	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,2|H<1>,3|C<4>}	C(CC[6,6]O)(H)3	115.2890	0.000	1	115.7480	0.331	3	116.1472	0.426	6	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){2|C<3>,3|C<4>}	C(CC[6,6]O)(H)3	116.3930	0.000	1	115.7480	0.331	3	116.1472	0.426	6	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[4x6]C[6,6]H)(CH3)(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[4x6]C[6,6]H)(CH3)(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(CC[6,6]O)(H)3	115.1620	0.000	1	115.1620	0.000	1	115.1620	0.000	1	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[5,6,6]2H)(CH3)(O)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[5,6,6]2H)(CH3)(O)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<1>,3|C<4>}	C(CC[6,6]O)(H)3	117.5400	0.000	1	117.2477	0.077	6	117.2477	0.077	6	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[5,6,6]2H)(CH3)(O)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[5,6,6]2H)(CH3)(O)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	C(CC[6,6]O)(H)3	117.1892	0.266	5	117.2477	0.077	6	117.2477	0.077	6	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(O)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(CC[6,6]O)(H)3	117.6220	1.567	2	117.6220	2.455	2	117.6220	2.455	2	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[6,6]2H)(CH3)(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[6,6]2H)(CH3)(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){3|C<3>,3|H<1>}	C(CC[6,6]O)(H)3	117.3900	0.875	2	117.3900	0.766	2	116.8962	1.044	5	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[6,6]2H)(CH3)(O)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[6,6]2H)(CH3)(O)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){2|H<1>,3|C<3>}	C(CC[6,6]O)(H)3	116.8520	0.000	1	116.8520	0.000	1	116.8962	1.044	5	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[6,6]2H)(CH3)(O)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H)	C(CC[6,6]O)(H)3	C(C[6,6]C[6,6]2H)(CH3)(O)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H){2|C<3>,6|H<1>}	C(CC[6,6]O)(H)3	116.4245	1.573	2	116.4245	2.475	2	116.8962	1.044	5	116.7628	0.893	20	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:2:	4:3:1:1:	C[6,6]-4:C-4:O-1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:C-3:H-1:H-1:	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:3:3:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6,6]C[6,6]C[6]2)(CH3)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO)	C(CC[6,6]O)(H)3	C(C[6,6]C[6,6]C[6]2)(CH3)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO){2|O<2>,3|C<3>,3|H<1>}	C(CC[6,6]O)(H)3	117.5110	0.000	1	117.5110	0.000	1	117.5110	0.000	1	117.5110	0.000	1	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6]2)(CH3)(O)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6]2)(CH3)(O)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(CC[6,6]O)(H)3	119.2230	0.549	2	119.0637	0.227	3	119.0637	0.227	3	118.8020	1.362	12	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6]2)(CH3)(O)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	C(CC[6,6]O)(H)3	C(C[6,6]C[3x6]C[6]2)(CH3)(O)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C(CC[6,6]O)(H)3	118.7450	0.000	1	119.0637	0.227	3	119.0637	0.227	3	118.8020	1.362	12	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6,6]C[6,6]2C[6])(CH3)(O)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(CCO)	C(CC[6,6]O)(H)3	C(C[6,6]C[6,6]2C[6])(CH3)(O)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(CCO){2|C<3>,2|C<4>,4|H<1>}	C(CC[6,6]O)(H)3	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	118.8020	1.362	12	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6,6]C[6,6]C[6]2)(CH3)(O)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO)	C(CC[6,6]O)(H)3	C(C[6,6]C[6,6]C[6]2)(CH3)(O)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO){5|C<4>,5|H<1>}	C(CC[6,6]O)(H)3	118.5005	0.438	4	118.5005	0.192	4	118.5005	0.192	4	118.8020	1.362	12	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6,6]-4:C-4:O-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6,6]C[6,6]C[6]2)(CH3)(O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO)	C(CC[6,6]O)(H)3	C(C[6,6]C[6,6]C[6]2)(CH3)(O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,6|H<1>}	C(CC[6,6]O)(H)3	118.0743	0.235	4	118.0743	0.055	4	118.0743	0.055	4	118.8020	1.362	12	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:1:	4:4:4:3:	3:4:1:1:	C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:H-1:	C(C[6,6]C[6,6]C[6]2)(CCHH)(O)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C(CC[6,6]O)(CCHH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(O)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO){3|C<4>,6|H<1>}	C(CC[6,6]O)(CCHH)(H)2	123.4810	0.000	1	123.4810	0.000	1	123.4810	0.000	1	123.4810	0.000	1	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:C-3:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H)	C(CC[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C(CC[6,6]C)(H)3	115.0360	0.000	1	115.0360	0.000	1	117.4770	11.917	2	117.4770	11.917	2	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6,6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:C-3:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H)	C(CC[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C(CC[6,6]C)(H)3	119.9180	0.000	1	119.9180	0.000	1	117.4770	11.917	2	117.4770	11.917	2	118.0757	4.208	49	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:2:4:	3:4:3:1:	3:1:1:1:	C[6]-4:P-2:C-4:	P[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]P[6]H)(PC[6a])(CH3)	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CCP)(H)	C(CC[6]P)(H)3	C(C[6]C[6]P[6]H)(PC[6a])(CH3)	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CCP)(H){1|C<4>,2|H<1>,3|C<3>}	C(CC[6]P)(H)3	117.0865	0.339	2	117.0865	0.115	2	117.0865	0.115	2	117.0865	0.115	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[6]-4:N-2:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(NC[6a])(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H)	C(CC[6]N)(H)3	C(C[6]C[6]2H)(NC[6a])(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H){1|Ge<2>,3|C<3>}	C(CC[6]N)(H)3	117.3470	0.000	1	117.3470	0.000	1	117.3470	0.000	1	117.3470	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C-3:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]N[6]2H)(CC[5a]H)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]N[6]2H)(CC[5a]H)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	C(CC[6]C)(H)3	117.1735	0.521	2	117.1735	0.272	2	117.1735	0.272	2	117.1735	0.272	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:3:4:	4:2:3:1:	3:1:1:1:	C[6]-4:C-3:C-4:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(H)3	116.6090	0.000	1	116.6090	0.000	1	115.2945	3.456	2	117.5582	5.238	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CC[6a]H)(CH3)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CC[6a]H)(CH3)	C[6](C[6]C[6]HH)2(CCC)(H){1|N<3>,4|H<1>}	C(CC[6]C)(H)3	113.9800	0.000	1	113.9800	0.000	1	115.2945	3.456	2	117.5582	5.238	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H)	C(CC[6]2)(H)3	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H){2|C<4>,3|C<3>}	C(CC[6]2)(H)3	118.5450	0.000	1	118.5450	0.000	1	119.0673	0.207	3	117.5582	5.238	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H)	C(CC[6]2)(H)3	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H){1|C<4>,4|C<3>}	C(CC[6]2)(H)3	119.3285	0.074	2	119.3285	0.006	2	119.0673	0.207	3	117.5582	5.238	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CC[3]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C(CC[3]HH)(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CC[3]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C(CC[3]HH)(CC[6]C)(H)2	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	2:2:3:1:	3:3:1:1:	C[6]-4:C-4:O-1:	S[6]-2:S[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C(C[6]S[6]2H)(CC[6a]HH)(O)	C[6](S[6]C[6])2(CCO)(H)	C(C[6a]C[6a]2)(CC[6]O)(H)2	C(C[6]S[6]2H)(CC[6a]HH)(O)	C[6](S[6]C[6])2(CCO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]O)(H)2	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	2:2:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	O[6]-2:O[6]-2:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]O[6]2H)(CCHH)(H)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H)	C(CC[6]H)(CH3)(H)2	C(C[6]O[6]2H)(CCHH)(H)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H){2|C<4>,2|H<1>}	C(CC[6]H)(CH3)(H)2	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	2:2:3:1:	3:4:4:4:	C[6]-4:C-4:O-1:	S[6]-2:S[6]-2:C-3:H-1:	C-3:C-4:C-4:C-4:	C(C[6]S[6]2H)(CC3)(O)	C[6](S[6]C[6])2(CCO)(H)	C(CC[6]O)(CCHH)(CH3)2	C(C[6]S[6]2H)(CC3)(O)	C[6](S[6]C[6])2(CCO)(H){1|C<4>,4|H<1>}	C(CC[6]O)(CCHH)(CH3)2	119.7300	0.000	1	119.7300	0.000	1	119.7300	0.000	1	119.7300	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	2:3:3:1:	3:3:1:1:	C[6]-4:C-4:O-1:	O[6]-2:N[6]-3:C-3:H-1:	C-3:C-3:H-1:H-1:	C(C[6]N[6]O[6]H)(CCHH)(O)	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H)	C(CC[6a]C)(CC[6]O)(H)2	C(C[6]N[6]O[6]H)(CCHH)(O)	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H){1|H<1>,1|N<3>,2|C<3>}	C(CC[6a]C)(CC[6]O)(H)2	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	2:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	O[6]-2:C[6]-4:C-3:H-1:	C-3:Cl-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CClHH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(Cl)(H)2	C(C[6]C[6]O[6]H)(CClHH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H){2|C<3>,2|H<1>}	C(CC[6]O)(Cl)(H)2	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:2:4:3:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6]-3:O[6]-2:C-4:C-3:	C-4:C-3:H-1:H-1:	C(C[6]C[6]O[6]C)(CCHH)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	C(CC[6]CC)(CC[6]O)(H)2	C(C[6]C[6]O[6]C)(CCHH)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]CC)(CC[6]O)(H)2	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:3:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]N[6]H)(CH3)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H){1|O<1>,2|C<4>}	C(CC[6]O)(H)3	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:3:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-3:C[6]-3:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]H)2(CCO)(H)	C(CC[6]O)(CC3)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]H)2(CCO)(H){1|C<4>,2|H<1>}	C(CC[6]O)(CC3)(H)2	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:3:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-3:C[6]-3:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]C)2(CCO)(COO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]C)2(CCO)(COO){1|C<4>,4|H<1>}	C(CC[6]O)(H)3	117.3540	0.000	1	117.3540	0.000	1	117.3540	0.000	1	117.3540	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:3:4:3:	3:1:1:1:	C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[5a,6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	C(CC[6]H)(H)3	C(C[6]C[5a,6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(CC[6]H)(H)3	123.8060	0.000	1	123.8060	0.000	1	123.8060	0.000	1	118.9317	18.161	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:3:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[5a,6]N[6]C)(CH3)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[5a,6]N[6]C)(CH3)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO){1|C<4>,2|H<1>,3|C<3>}	C(CC[6]O)(H)3	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	118.9317	18.161	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:3:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C-3:Br-1:H-1:H-1:	C(C[6]C[6,6a]2C[6])(CBrHH)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO)	C(CC[6]O)(Br)(H)2	C(C[6]C[6,6a]2C[6])(CBrHH)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO){1|C<4>,2|H<1>,8|C<3>}	C(CC[6]O)(Br)(H)2	115.9100	0.000	1	115.9100	0.000	1	115.9100	0.000	1	118.9317	18.161	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:3:4:3:	3:4:1:1:	C[6]-4:C-4:O-1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C-3:C-4:H-1:I-1:	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(CC[6]O)(CH3)(H)(I)	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]O)(CH3)(H)(I)	120.0610	0.433	2	120.0610	0.187	2	120.0610	0.187	2	120.0610	0.187	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:3:4:3:	3:4:3:1:	C[6]-4:C-4:O-1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C-3:C-4:C-3:H-1:	C(C[6]C[5a,6]N[6]C)(CCCH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(CC[6]O)(CH3)(COO)(H)	C(C[6]C[5a,6]N[6]C)(CCCH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]O)(CH3)(COO)(H)	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:2:3:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C-3:C-4:H-1:H-1:	C(C[6]C[6a]C[6]O[6])(CCHH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6a]C[6]O[6])(CCHH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO){2|C<4>,3|C<3>,3|H<1>}	C(CC[6]O)(CCHH)(H)2	119.1200	0.000	1	119.1200	0.000	1	119.1200	0.000	1	119.1200	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CH3)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]O)(H)3	119.1780	0.000	1	119.1780	0.000	1	119.1780	0.000	1	118.0290	2.640	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C(CC[6]O)(H)3	116.8800	0.000	1	116.8800	0.000	1	116.8800	0.000	1	118.0290	2.640	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CCHH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(CH3)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H){1|S<4>,2|C<3>,3|H<1>}	C(CC[6]O)(CH3)(H)2	116.0820	0.231	2	116.0820	0.053	2	116.0820	0.053	2	116.0820	0.053	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6,6]-3:C[6]-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H)	C(CC[5]HH)(CC[6]O)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,4|C<4>}	C(CC[5]HH)(CC[6]O)(H)2	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:3:2:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]O)(CH3)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	C(CC[6]O)(H)3	C(C[6]C[6,6a]C[6]O)(CH3)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	C(CC[6]O)(H)3	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-3:C[6]-4:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO){2|C<3>}	C(CC[6]O)(H)3	118.9460	0.000	1	118.9460	0.000	1	118.9460	0.000	1	118.9460	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6a]C[6]2)(CH3)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO)	C(CC[6]O)(H)3	C(C[6]C[6a]C[6]2)(CH3)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C(CC[6]O)(H)3	118.8990	0.000	1	118.8990	0.000	1	118.8990	0.000	1	118.2385	0.873	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	3:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	N[6a]-3:C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]N[6a]C[6]2)(CH3)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(CCO)	C(CC[6]O)(H)3	C(C[6]N[6a]C[6]2)(CH3)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(CCO){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C(CC[6]O)(H)3	117.5780	0.000	1	117.5780	0.000	1	117.5780	0.000	1	118.2385	0.873	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:2:2:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C-4:S[6]-2:S[6]-2:C-3:	C-3:H-1:H-1:H-1:	C(C[6]S[6]2C)(CH3)(O)	C[6](CC[6a]CH)(S[6]C[6])2(CCO)	C(CC[6]O)(H)3	C(C[6]S[6]2C)(CH3)(O)	C[6](CC[6a]CH)(S[6]C[6])2(CCO){1|C<4>,4|H<1>}	C(CC[6]O)(H)3	118.3040	0.000	1	118.3040	0.000	1	118.3040	0.000	1	118.3040	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(O)	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]O[6]H)(CH3)(O)	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H){1|O<1>,3|C<4>}	C(CC[6]O)(H)3	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:2:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHH)(O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H){1|C<4>,4|H<1>}	C(CC[6]O)(CCHH)(H)2	119.7095	0.525	2	119.7095	0.276	2	119.7095	0.276	2	119.7095	0.276	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H){1|H<1>,4|C<3>}	C(CC[6]O)(H)3	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	117.1404	0.341	7	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]N[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]N[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C(CC[6]O)(H)3	116.9555	0.595	2	116.9555	0.354	2	116.9555	0.354	2	117.1404	0.341	7	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:F-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2F)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F)	C(CC[6]O)(H)3	C(C[6]C[6]2F)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F){1|F<1>,1|H<1>,4|C<3>}	C(CC[6]O)(H)3	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	117.1404	0.341	7	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H){1|C<3>,1|N<3>,3|H<1>}	C(CC[6]O)(H)3	117.9370	0.000	1	117.9370	0.000	1	117.0900	1.435	2	117.1404	0.341	7	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H){1|C<4>,2|C<3>,4|H<1>}	C(CC[6]O)(H)3	116.2430	0.000	1	116.2430	0.000	1	117.0900	1.435	2	117.1404	0.341	7	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(O)	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]N[6]H)(CH3)(O)	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H){1|N<3>,2|H<1>,2|O<1>}	C(CC[6]O)(H)3	117.0540	0.000	1	117.0540	0.000	1	117.0540	0.000	1	117.1404	0.341	7	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H){1|H<1>,2|C<4>}	C(CC[6]O)(CCHH)(H)2	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	3:4:4:4:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:C-4:C-4:	C(C[6]C[6]2H)(CC3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H)	C(CC[6]O)(CH3)3	C(C[6]C[6]2H)(CC3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H){5|C<3>}	C(CC[6]O)(CH3)3	117.8860	0.000	1	117.8860	0.000	1	117.8860	0.000	1	117.8860	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5]-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[5]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H)	C(C[5]C[5,6]N[5]H)(CC[6]O)(H)2	C(C[6]C[6]2H)(CC[5]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H){2|C<4>,2|H<1>}	C(C[5]C[5,6]N[5]H)(CC[6]O)(H)2	118.6220	0.000	1	118.6220	0.000	1	118.6220	0.000	1	120.4007	2.373	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6]HH)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H)	C(C[6]C[6]2C)(CC[6]O)(H)2	C(C[6]C[6]2H)(CC[6]HH)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(CC[6]O)(H)2	121.2900	0.000	2	121.2900	0.000	2	121.2900	0.000	2	120.4007	2.373	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:2:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO)	C(CC[6]O)(H)3	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO){1|H<1>,2|C<3>,2|C<4>}	C(CC[6]O)(H)3	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	C(CC[6]O)(H)3	118.2225	0.463	2	118.2225	0.215	2	118.2225	0.215	2	118.2225	0.215	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO){2|C<3>}	C(CC[6]O)(H)3	118.9225	0.299	2	118.9225	0.089	2	118.2897	1.246	3	118.5588	1.120	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO){1|C<3>,1|H<1>,3|C<4>}	C(CC[6]O)(H)3	117.0240	0.000	1	117.0240	0.000	1	118.2897	1.246	3	118.5588	1.120	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:S-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2S)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2S)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]O)(H)3	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	118.5588	1.120	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:4:3:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO){2|C<4>,2|H<1>}	C(CC[6]O)(CCHH)(H)2	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:4:3:	3:4:3:2:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C-3:C-4:C-3:O-2:	C(C[6]C[5,6]C[6]C)(CCCO)(O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO)	C(CC[6]O)(CH3)(COO)(OH)	C(C[6]C[5,6]C[6]C)(CCCO)(O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(CC[6]O)(CH3)(COO)(OH)	123.1390	0.000	1	123.1390	0.000	1	123.1390	0.000	1	122.5400	0.718	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:4:3:	3:4:3:2:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:C-4:C-3:O-2:	C(C[6]C[6]2C)(CCCO)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO)	C(CC[6]O)(CH3)(COO)(OH)	C(C[6]C[6]2C)(CCCO)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO){2|H<1>,3|C<4>}	C(CC[6]O)(CH3)(COO)(OH)	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	122.5400	0.718	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:4:3:	3:4:4:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:C-4:C-4:H-1:	C(C[6]C[6]2C)(CCCH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO)	C(CC[6]O)(CHHO)(CH3)(H)	C(C[6]C[6]2C)(CCCH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO){1|C<4>,3|H<1>}	C(CC[6]O)(CHHO)(CH3)(H)	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO)	C(CC[6a]HH)(CC[6]O)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO){2|C<3>}	C(CC[6a]HH)(CC[6]O)(H)2	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6,6]H)(CH3)(O)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[5,6]C[6,6]H)(CH3)(O)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H){3|C<4>}	C(CC[6]O)(H)3	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(CC[6]O)(H)3	118.8105	1.589	2	118.8105	2.525	2	118.8702	2.598	4	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C(CC[6]O)(H)3	117.3090	0.000	1	118.9300	5.255	2	118.8702	2.598	4	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){3|C<4>,5|H<1>}	C(CC[6]O)(H)3	120.5510	0.000	1	118.9300	5.255	2	118.8702	2.598	4	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(CC[6]O)(H)3	116.3340	0.000	1	116.3340	0.000	1	117.2634	0.748	11	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	C(CC[6]O)(H)3	117.0390	0.000	1	117.0390	0.000	1	117.2634	0.748	11	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H){1|C<3>,3|H<1>,4|C<4>}	C(CC[6]O)(H)3	117.6290	0.000	1	117.6290	0.000	1	117.2634	0.748	11	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C(CC[6]O)(H)3	118.0000	0.482	3	118.0000	0.232	3	117.2634	0.748	11	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C(CC[6]O)(H)3	118.5590	0.000	1	118.5590	0.000	1	117.2634	0.748	11	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C(CC[6]O)(H)3	116.2120	0.000	1	116.2120	0.000	1	117.2634	0.748	11	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	C(CC[6]O)(H)3	117.3250	0.000	1	116.7080	0.316	3	117.2634	0.748	11	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,4|C<4>}	C(CC[6]O)(H)3	116.3995	0.247	2	116.7080	0.316	3	117.2634	0.748	11	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:F-1:F-1:F-1:	C(C[6]C[6]2H)(CF3)(O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H)	C(CC[6]O)(F)3	C(C[6]C[6]2H)(CF3)(O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H){1|C<4>,2|H<1>}	C(CC[6]O)(F)3	115.8910	0.000	1	115.8910	0.000	1	115.8910	0.000	1	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]O)(H)3	119.4585	0.310	2	119.4585	0.096	2	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(CC[6]O)(H)3	119.8810	0.000	1	119.8810	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(CC[6]O)(H)3	120.3083	0.146	3	120.3083	0.021	3	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	C(CC[6]O)(H)3	117.1570	0.000	1	117.1570	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	C(CC[6]O)(H)3	117.0260	0.000	1	117.0260	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(CC[6]O)(H)3	117.7130	0.665	4	117.7130	0.442	4	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H){2|C<3>}	C(CC[6]O)(H)3	116.7650	0.000	1	116.7650	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(CC[6]O)(H)3	118.5440	0.000	1	118.5440	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]CH)2(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]CH)2(CCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]O)(H)3	117.3650	0.000	1	117.4910	0.032	2	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]CH)2(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]CH)2(CCO)(H){1|H<1>,3|C<3>}	C(CC[6]O)(H)3	117.6170	0.000	1	117.4910	0.032	2	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(CC[6]O)(H)3	117.0800	0.000	1	117.0800	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]O)(H)3	118.3900	2.353	2	118.3900	5.538	2	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H){2|C<3>,2|H<1>}	C(CC[6]O)(H)3	118.9900	0.252	2	118.9900	0.063	2	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H){1|C<4>,2|C<3>}	C(CC[6]O)(H)3	120.0490	0.000	1	120.0490	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]HH)2(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<4>,4|H<1>}	C(CC[6]O)(H)3	118.4410	0.000	1	118.4410	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(CC[6]O)(H)3	117.1550	0.000	1	117.1550	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(CC[6]O)(H)3	117.3080	0.000	1	117.3080	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,2|C<2>,4|C<3>}	C(CC[6]O)(H)3	116.7370	0.000	1	116.7370	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H){5|C<3>}	C(CC[6]O)(H)3	116.9240	0.000	1	116.9240	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H){1|H<1>,4|C<3>}	C(CC[6]O)(H)3	117.9650	0.000	1	117.9650	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H)	C(CC[6]O)(H)3	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H){3|C<3>,4|H<1>}	C(CC[6]O)(H)3	118.6450	0.000	1	118.6450	0.000	1	118.2798	1.600	29	118.1001	1.905	46	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6a]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6]O)(H)2	C(C[6]C[6]2H)(CC[6a]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(CC[6]O)(H)2	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H){1|O<2>,2|C<4>,3|H<1>}	C(CC[6]O)(CCHH)(H)2	121.7390	0.000	1	121.7390	0.000	1	119.5080	9.955	2	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(O)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(O)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(CC[6]O)(CCHH)(H)2	117.2770	0.000	1	117.2770	0.000	1	119.5080	9.955	2	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H)	C(CC[6]O)(CHHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	C(CC[6]O)(CHHO)(H)2	116.9336	0.147	5	116.9336	0.022	5	117.2045	0.458	6	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(CC[6]O)(CCHH)(H)2	118.5590	0.000	1	118.5590	0.000	1	117.2045	0.458	6	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	C(CC[6]O)(CCHH)(H)2	119.3020	0.000	1	120.2580	0.746	3	118.7061	1.836	13	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[6]O)(CCHH)(H)2	120.7360	0.349	2	120.2580	0.746	3	118.7061	1.836	13	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]O)(CCHH)(H)2	118.7782	1.197	5	118.5098	1.579	6	118.7061	1.836	13	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){2|C<4>,3|H<1>}	C(CC[6]O)(CCHH)(H)2	117.1680	0.000	1	118.5098	1.579	6	118.7061	1.836	13	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C(CC[6]O)(CCHH)(H)2	118.2330	0.000	1	118.2330	0.000	1	118.7061	1.836	13	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H){1|C<4>,2|H<1>}	C(CC[6]O)(CCHH)(H)2	118.2755	0.036	2	118.2755	0.001	2	118.7061	1.836	13	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H)	C(CC[6]O)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H){1|O<1>,4|C<3>}	C(CC[6]O)(CH3)(H)2	116.5620	0.000	1	116.5620	0.000	1	118.7061	1.836	13	118.3534	2.324	21	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:3:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:N-3:H-1:	C(C[6]C[6]2H)(CCHN)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6]H)(CHHO)(NCC)(H)	C(C[6]C[6]2H)(CCHN)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CHHO)(NCC)(H)	117.2150	0.000	2	117.2150	0.000	2	117.2150	0.000	2	117.2150	0.000	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:4:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-4:H-1:	C(C[6]C[6]2H)(CCCH)(O)	C[6](C[6]C[6]HH)2(CCO)(H)	C(CC[6]O)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(CCCH)(O)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]O)(CCHH)(CH3)(H)	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	3:4:4:4:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-4:C-4:	C(C[6]C[6]2H)(CC3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H)	C(CC[6]O)(CCHO)(CH3)2	C(C[6]C[6]2H)(CC3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H){2|C<4>,3|H<1>}	C(CC[6]O)(CCHO)(CH3)2	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H)	C(CN[5]HH)(CC[6]O)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H){1|H<1>,1|O<2>,3|C<4>}	C(CN[5]HH)(CC[6]O)(H)2	117.7760	1.644	4	117.7760	2.703	4	117.7760	2.703	4	117.7882	1.492	9	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H)	C(CC[5a]CC)(CC[6]O)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	C(CC[5a]CC)(CC[6]O)(H)2	117.8670	0.946	2	117.8670	0.895	2	117.8670	0.895	2	117.7882	1.492	9	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C(CC[6a]CH)(CC[6]O)(H)2	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C(CC[6a]CH)(CC[6]O)(H)2	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	117.7882	1.492	9	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6]HH)(O)	C[6](C[6]C[6]HH)2(CCO)(H)	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	C(C[6]C[6]2H)(CC[6]HH)(O)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	116.6770	0.000	1	116.6770	0.000	1	117.0990	0.356	2	117.7882	1.492	9	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6]HH)(O)	C[6](C[6]C[6]HH)2(CCO)(H)	C(C[6]C[6]O[6]H)(CC[6]O)(H)2	C(C[6]C[6]2H)(CC[6]HH)(O)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6]O)(H)2	117.5210	0.000	1	117.5210	0.000	1	117.0990	0.356	2	117.7882	1.492	9	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:1:	4:3:2:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C(C[6]C[6]2H)(CCHO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H)	C(CC[6a]HO)(CC[6]O)(OC)(H)	C(C[6]C[6]2H)(CCHO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H){1|C<4>,4|H<1>}	C(CC[6a]HO)(CC[6]O)(OC)(H)	117.5930	0.000	1	117.5930	0.000	1	117.5930	0.000	1	117.5930	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]C)(CH3)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]C)(CH3)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(CC[6]O)(H)3	117.3170	0.017	2	117.3170	0.000	2	117.3170	0.000	2	118.7828	1.157	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]O)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH)	C(CC[6]O)(H)3	C(C[6]C[6,6]C[6]O)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH){1|O<2>,2|C<4>,5|H<1>}	C(CC[6]O)(H)3	120.4360	0.000	1	120.4360	0.000	1	120.4360	0.000	1	118.7828	1.157	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	C(CC[6]O)(H)3	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C(CC[6]O)(H)3	119.1185	0.756	2	119.1185	0.571	2	119.0384	0.185	5	118.7828	1.157	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	C(CC[6]O)(H)3	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C(CC[6]O)(H)3	118.7050	0.000	1	118.7050	0.000	1	119.0384	0.185	5	118.7828	1.157	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH)	C(CC[6]O)(H)3	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH){1|C<4>,1|S<4>,2|H<1>}	C(CC[6]O)(H)3	119.0000	0.000	1	119.0000	0.000	1	119.0384	0.185	5	118.7828	1.157	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH)	C(CC[6]O)(H)3	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH){1|C<4>,2|H<1>}	C(CC[6]O)(H)3	119.2500	0.000	1	119.2500	0.000	1	119.0384	0.185	5	118.7828	1.157	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:2:	3:2:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:O-2:H-1:H-1:	C(C[6]C[6]2O)(CHHO)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH)	C(CC[6]O)(OH)(H)2	C(C[6]C[6]2O)(CHHO)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH){1|H<1>,1|O<2>,2|C<3>}	C(CC[6]O)(OH)(H)2	117.6965	0.272	2	117.6965	0.074	2	117.6965	0.074	2	117.6965	0.074	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:2:	3:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:O-2:	C[5a]-3:C-3:H-1:H-1:	C(C[6]C[6]2O)(CC[5a]HH)(O)	C[6](C[6]C[6]HH)2(CCO)(OSi)	C(C[5a]C[5a,6a]C[5a])(CC[6]O)(H)2	C(C[6]C[6]2O)(CC[5a]HH)(O)	C[6](C[6]C[6]HH)2(CCO)(OSi){1|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6]O)(H)2	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]2H)2(CCO)2	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]2H)2(CCO)2{2|C<3>,4|C<4>,4|H<1>}	C(CC[6]O)(H)3	120.5885	2.939	2	120.5885	8.640	2	119.0754	3.261	12	119.0754	3.261	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCO)2	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCO)2{1|C<3>,1|C<4>,1|H<1>}	C(CC[6]O)(H)3	117.1630	1.162	2	117.1630	1.351	2	119.0754	3.261	12	119.0754	3.261	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)2(CCO)2	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)2(CCO)2{1|C<4>,4|H<1>}	C(CC[6]O)(H)3	118.3180	0.216	3	118.3180	0.047	3	119.0754	3.261	12	119.0754	3.261	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(COO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(CC[6]O)(H)3	119.6500	0.000	1	119.6500	0.000	1	119.0754	3.261	12	119.0754	3.261	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6a]C[6]H)2(CCO)(COO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6a]C[6]H)2(CCO)(COO){2|H<1>,6|C<3>}	C(CC[6]O)(H)3	118.7535	0.914	2	118.7535	0.836	2	119.0754	3.261	12	119.0754	3.261	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6a]C[6]H)2(CCO)2	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6a]C[6]H)2(CCO)2{2|H<1>,6|C<3>}	C(CC[6]O)(H)3	120.6455	2.422	2	120.6455	5.865	2	119.0754	3.261	12	119.0754	3.261	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:3:3:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)2(CCO)2	C(CC[6]O)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)2(CCO)2{1|C<4>,4|H<1>}	C(CC[6]O)(CCHH)(H)2	117.8494	0.380	5	117.8494	0.144	5	117.8494	0.144	5	117.8494	0.144	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[5,5,6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[5,5,6]C[6]C)(CH3)(O)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[5,5,6]C[6]C)(CH3)(O)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO){2|C<4>,2|H<1>,3|C<3>}	C(CC[6]O)(H)3	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	119.5189	1.417	10	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C(CC[6]O)(H)3	119.3270	1.734	2	119.7270	1.329	4	119.6108	1.499	9	119.5189	1.417	10	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(CC[6]O)(H)3	120.1270	0.584	2	119.7270	1.329	4	119.6108	1.499	9	119.5189	1.417	10	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO){3|C<3>}	C(CC[6]O)(H)3	118.2860	0.000	1	118.2860	0.000	1	119.6108	1.499	9	119.5189	1.417	10	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO){1|O<1>,2|C<3>}	C(CC[6]O)(H)3	119.4920	0.000	1	119.4920	0.000	1	119.6108	1.499	9	119.5189	1.417	10	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|H<1>}	C(CC[6]O)(H)3	117.9670	0.000	1	117.9670	0.000	1	119.6108	1.499	9	119.5189	1.417	10	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:1:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(CC[6]O)(H)3	120.9220	0.199	2	120.9220	0.040	2	119.6108	1.499	9	119.5189	1.417	10	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:2:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:O-2:H-1:H-1:	C(C[6]C[6]2C)(CHHO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]O)(OH)(H)2	120.4040	3.132	2	119.6343	4.063	4	119.6343	4.063	4	119.6343	4.063	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:2:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:O-2:H-1:H-1:	C(C[6]C[6]2C)(CHHO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C(CC[6]O)(OH)(H)2	118.8645	0.088	2	119.6343	4.063	4	119.6343	4.063	4	119.6343	4.063	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:C-3:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO)	C(CC[6]O)(CCC)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO){2|H<1>,3|C<4>}	C(CC[6]O)(CCC)(H)2	119.7790	0.000	1	119.7790	0.000	1	119.7790	0.000	1	122.3740	13.468	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C-3:F-1:F-1:	C(C[6]C[6]2C)(CC[6]FF)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	C(C[6]C[6]2)(CC[6]O)(F)2	C(C[6]C[6]2C)(CC[6]FF)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6]O)(F)2	124.9690	0.000	1	124.9690	0.000	1	124.9690	0.000	1	122.3740	13.468	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:3:2:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-3:C-3:O-2:H-1:	C(C[6]C[5,6]C[6]C)(CC[6]HO)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2)(CC[6]O)(OH)(H)	123.3700	0.000	1	123.3700	0.000	1	123.3700	0.000	1	121.5171	3.105	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:3:2:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C-3:O-2:H-1:	C(C[6]C[6]2C)(CC[6]HO)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6]O)(OC)(H)	120.4230	0.964	5	120.4230	0.930	5	121.2524	2.968	7	121.5171	3.105	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:3:2:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C-3:O-2:H-1:	C(C[6]C[6]2C)(CC[6]HO)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C(C[6]C[6]2C)(CC[6]HO)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6]O)(OH)(H)	123.3260	1.431	2	123.3260	2.048	2	121.2524	2.968	7	121.5171	3.105	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:4:1:1:	C[6]-4:C-4:O-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C-3:C-4:H-1:H-1:	C(C[6]C[5,6]C[6]C)(CCHH)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO)	C(CC[6]O)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO){2|H<1>,2|O<2>,4|C<4>}	C(CC[6]O)(CC3)(H)2	118.7780	0.000	1	118.7780	0.000	1	118.7780	0.000	1	120.5192	3.333	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(CC3)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(CC[6]O)(CC3)(H)2	119.7200	0.000	1	119.7200	0.000	1	120.9545	3.181	4	120.5192	3.333	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(CCHO)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(CC[6]O)(CCHO)(H)2	122.4835	0.138	2	122.4835	0.019	2	120.9545	3.181	4	120.5192	3.333	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:4:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO)	C(CC[6]O)(CH3)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO){1|O<1>,4|C<3>}	C(CC[6]O)(CH3)(H)2	119.1310	0.000	1	119.1310	0.000	1	120.9545	3.181	4	120.5192	3.333	5	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	3:4:2:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:C-4:O-2:H-1:	C(C[6]C[6]2C)(CCHO)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO)	C(CC[6]O)(CH3)(OC)(H)	C(C[6]C[6]2C)(CCHO)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO){1|H<1>,1|O<1>,2|C<4>}	C(CC[6]O)(CH3)(OC)(H)	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:1:	4:4:4:3:	4:3:1:1:	C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)2(CH3)(CCO)	C(CC[6a]HH)(CC[6]O)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)2(CH3)(CCO){1|C<4>,4|H<1>}	C(CC[6a]HH)(CC[6]O)(H)2	118.1520	0.000	1	118.1520	0.000	1	118.1520	0.000	1	118.1520	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	3:3:3:3:	3:1:1:1:	C[6]-4:C-4:N-2:	C[6]-3:C[6]-3:C-3:N-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]N[6]O)2(CCN)(NHO)	C(CC[6]N)(H)3	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]N[6]O)2(CCN)(NHO){1|C<3>,2|C<4>}	C(CC[6]N)(H)3	119.5605	0.090	2	119.5605	0.008	2	119.8280	0.219	3	119.8280	0.219	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	3:3:3:3:	3:1:1:1:	C[6]-4:C-4:N-2:	C[6]-3:C[6]-3:C-3:N-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]O[6]O)2(CCN)(NHO)	C(CC[6]N)(H)3	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]O[6]O)2(CCN)(NHO){1|C<4>}	C(CC[6]N)(H)3	120.3630	0.000	1	120.3630	0.000	1	119.8280	0.219	3	119.8280	0.219	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	3:3:4:3:	3:1:1:1:	C[6]-4:C-4:N-2:	N[6]-3:N[6]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C(C[6]N[6]2C)(CH3)(NO)	C[6](N[6]C[6]H)2(CH3)(CCN)	C(CC[6]N)(H)3	C(C[6]N[6]2C)(CH3)(NO)	C[6](N[6]C[6]H)2(CH3)(CCN){1|C<4>,4|H<1>}	C(CC[6]N)(H)3	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CC)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CC)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(H)3	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	117.4770	1.657	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:N-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(NN)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H)	C(CC[6]N)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(NN)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	C(CC[6]N)(H)3	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	117.4770	1.657	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(NN)	C[6](C[6]C[6]HH)2(CCN)(H)	C(CC[6]N)(H)3	C(C[6]C[6]2H)(CH3)(NN)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<3>,3|H<1>}	C(CC[6]N)(H)3	117.0380	0.000	1	116.4800	0.623	2	116.4800	0.623	2	117.4770	1.657	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(NN)	C[6](C[6]C[6]HH)2(CCN)(H)	C(CC[6]N)(H)3	C(C[6]C[6]2H)(CH3)(NN)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<4>,4|H<1>}	C(CC[6]N)(H)3	115.9220	0.000	1	116.4800	0.623	2	116.4800	0.623	2	117.4770	1.657	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:1:	3:3:3:2:	C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:C-3:O-2:	C(C[6]C[6]2H)(CCCO)(CC)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(CCH)(COO)(OH)	C(C[6]C[6]2H)(CCCO)(CC)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(CCH)(COO)(OH)	115.8750	0.000	1	115.8750	0.000	1	115.8750	0.000	1	115.8750	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:1:	3:3:3:3:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C(C[6]C[6]2H)(CC[6a]2C)(NC[6a])	C[6](C[6]C[6]HH)2(CCN)(H)	C(C[6a]C[6a]2)2(CC[6]N)(CHN)	C(C[6]C[6]2H)(CC[6a]2C)(NC[6a])	C[6](C[6]C[6]HH)2(CCN)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(CC[6]N)(CHN)	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:1:	3:4:4:1:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-4:H-1:	C(C[6]C[6]2H)(CCCH)(NN)	C[6](C[6]C[6]HH)2(CCN)(H)	C(CC[6]N)(CCCH)(CH3)(H)	C(C[6]C[6]2H)(CCCH)(NN)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<4>,4|H<1>}	C(CC[6]N)(CCCH)(CH3)(H)	119.6110	0.000	2	119.6110	0.000	2	119.6110	0.000	2	119.6110	0.000	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:3:	3:3:3:1:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C(C[6]C[6]2C)(CC[6a]2H)(NC)	C[6](C[6]C[6]HH)2(CCN)(CHN)	C(C[6a]C[6a]2)2(CC[6]N)(H)	C(C[6]C[6]2C)(CC[6a]2H)(NC)	C[6](C[6]C[6]HH)2(CCN)(CHN){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(CC[6]N)(H)	114.0630	0.000	1	114.0630	0.000	1	114.0630	0.000	1	114.0630	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:2:	4:4:3:3:	3:4:1:1:	C[6]-4:C-4:N-2:	C[6,6]-4:C[6]-4:C-3:C-3:	C-3:C-4:H-1:H-1:	C(C[6]C[6,6]C[6]C)(CCHH)(NN)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCN)(COO)	C(CC[6]N)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(NN)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCN)(COO){1|C<4>,2|H<1>,3|C<3>}	C(CC[6]N)(CCHH)(H)2	117.7420	0.000	1	117.7420	0.000	1	117.7420	0.000	1	117.7420	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-3:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(CC[6]C)(H)3	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-3:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C(CC[6]C)(H)3	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	114.5600	0.162	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H){1|C<3>,3|H<1>}	C(CC[6]C)(H)3	114.3595	0.289	2	114.3595	0.084	2	114.3595	0.084	2	114.5600	0.162	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-3:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C(CC[6]C)(CCHH)(H)2	116.2940	0.000	1	116.2940	0.000	1	116.2940	0.000	1	116.2940	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5a,6]C[6]H)(CH3)(CHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[5a,6]C[6]H)(CH3)(CHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(CC[6]C)(H)3	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	116.7461	6.417	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(CC[6]C)(H)3	113.8800	0.000	1	113.8800	0.000	1	113.8800	0.000	1	116.7461	6.417	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6a]C[5,6]H)(CH3)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6a]C[5,6]H)(CH3)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(CC[6]C)(H)3	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	116.7461	6.417	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<4>,4|C<3>}	C(CC[6]C)(H)3	117.3020	0.000	1	117.3020	0.000	1	118.6560	3.667	2	116.7461	6.417	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(CC[6]C)(H)3	120.0100	0.000	1	120.0100	0.000	1	118.6560	3.667	2	116.7461	6.417	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H){1|H<1>,2|C<4>}	C(CC[6]C)(H)3	115.3980	0.000	1	115.3980	0.000	1	114.8063	0.304	3	116.7461	6.417	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<4>}	C(CC[6]C)(H)3	114.5105	0.286	2	114.5105	0.082	2	114.8063	0.304	3	116.7461	6.417	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(CHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(CC[6]C)(CCHH)(H)2	116.2050	0.000	1	116.2050	0.000	1	116.2050	0.000	1	115.6705	0.192	6	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(CCCH)(H)2	C(C[6]C[6]2H)(CCHH)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(CCCH)(H)2	115.5636	0.392	5	115.5636	0.154	5	115.5636	0.154	5	115.6705	0.192	6	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]O[6]H)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]O[6]H)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(CC[6]C)(H)3	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	116.8205	2.044	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:F-1:F-1:F-1:	C(C[6]C[6]O[6]H)(CF3)(CCC)	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H)	C(CC[6]C)(F)3	C(C[6]C[6]O[6]H)(CF3)(CCC)	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H){1|C<4>,3|C<3>}	C(CC[6]C)(F)3	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	116.8205	2.044	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[6]C)(H)3	118.4520	0.000	1	118.4520	0.000	1	116.6590	2.279	6	116.8205	2.044	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(CC[6]C)(H)3	116.2750	0.000	1	116.7965	0.544	2	116.6590	2.279	6	116.8205	2.044	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C(CC[6]C)(H)3	117.3180	0.000	1	116.7965	0.544	2	116.6590	2.279	6	116.8205	2.044	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)3	117.6680	0.000	1	117.6680	0.000	1	116.6590	2.279	6	116.8205	2.044	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(H)3	116.0810	0.000	1	115.1205	1.845	2	116.6590	2.279	6	116.8205	2.044	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(H)3	114.1600	0.000	1	115.1205	1.845	2	116.6590	2.279	6	116.8205	2.044	8	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:2:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:O-2:H-1:H-1:	C(C[6]C[6]O[6]H)(CHHO)(CCH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H)	C(CC[6]C)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CCH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H){1|C<3>,3|H<1>}	C(CC[6]C)(OH)(H)2	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H){1|H<1>,1|O<2>,5|C<4>}	C(CC[6]C)(H)3	117.1405	0.705	2	117.1405	0.497	2	117.1405	0.497	2	116.5677	3.171	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H){2|C<4>,2|H<1>}	C(CC[6]C)(H)3	116.4040	0.000	1	116.4040	0.000	1	117.3524	0.367	5	116.5677	3.171	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H){2|C<3>,2|O<2>}	C(CC[6]C)(H)3	117.6750	0.000	1	117.6750	0.000	1	117.3524	0.367	5	116.5677	3.171	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	117.4880	0.000	1	117.4880	0.000	1	117.3524	0.367	5	116.5677	3.171	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H){1|H<1>,2|C<3>}	C(CC[6]C)(H)3	117.5975	0.571	2	117.5975	0.326	2	117.3524	0.367	5	116.5677	3.171	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H){1|O<1>,1|O<2>,2|H<1>}	C(CC[6]C)(H)3	112.9590	0.000	1	112.9590	0.000	1	115.5538	6.010	5	116.5677	3.171	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C(CC[6]C)(H)3	113.5070	0.000	1	113.5070	0.000	1	115.5538	6.010	5	116.5677	3.171	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	C(CC[6]C)(H)3	117.1010	1.723	3	117.1010	2.969	3	115.5538	6.010	5	116.5677	3.171	12	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(CC[6]C)(CCHH)(H)2	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:3:	3:2:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:C-3:	C-3:O-2:H-1:H-1:	C(C[6]C[6]2C)(CHHO)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C(CC[6]C)(OC[6a])(H)2	C(C[6]C[6]2C)(CHHO)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	C(CC[6]C)(OC[6a])(H)2	117.0890	0.000	1	117.0890	0.000	1	117.0890	0.000	1	117.0890	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:3:3:3:	3:3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:C-3:	N[5a]-3:C-3:H-1:H-1:	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C(N[5a]C[5a]2)(CC[6]C)(H)2	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	C(N[5a]C[5a]2)(CC[6]C)(H)2	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[3,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[3,6]C[6]H)(CH3)(CHH)	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[3,6]C[6]H)(CH3)(CHH)	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,4|H<1>}	C(CC[6]C)(H)3	121.4940	0.000	1	121.4940	0.000	1	121.4940	0.000	1	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C(CC[6]C)(H)3	118.5310	0.000	1	118.5310	0.000	1	118.0960	0.499	4	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<3>}	C(CC[6]C)(H)3	118.8140	0.000	1	118.8140	0.000	1	118.0960	0.499	4	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(CC[6]C)(H)3	117.7720	0.000	1	117.5195	0.128	2	118.0960	0.499	4	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	117.2670	0.000	1	117.5195	0.128	2	118.0960	0.499	4	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C(CC[6]C)(H)3	118.2730	0.000	1	118.2730	0.000	1	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	C(CC[6]C)(H)3	120.3320	0.000	1	120.3320	0.000	1	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(CC[6]C)(H)3	114.6080	0.000	1	117.2002	2.140	5	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C(CC[6]C)(H)3	118.0730	0.000	1	117.2002	2.140	5	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]C)(H)3	117.5790	0.000	1	117.2002	2.140	5	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C(CC[6]C)(H)3	117.7380	0.000	1	117.2002	2.140	5	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){4|C<4>,4|H<1>}	C(CC[6]C)(H)3	118.0030	0.000	1	117.2002	2.140	5	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	119.2020	0.000	1	119.2020	0.000	1	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(CC[6]C)(H)3	116.0290	0.552	2	115.5643	0.800	3	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C(CC[6]C)(H)3	114.6350	0.000	1	115.5643	0.800	3	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C(CC[6]C)(H)3	116.9710	0.000	1	116.9710	0.000	1	117.2893	3.010	12	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(H)3	115.2280	0.297	2	115.2280	0.088	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)3	116.7210	0.000	1	116.7210	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	115.9850	0.000	1	115.9850	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]C)(H)3	117.8155	0.056	2	117.8155	0.003	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]C)(H)3	116.5998	1.686	9	116.5998	2.844	9	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(CC[6]C)(H)3	120.7855	0.456	2	120.7855	0.208	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	116.8230	2.128	2	116.8230	4.530	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]C)(H)3	117.9790	1.454	2	116.2440	1.700	8	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	C(CC[6]C)(H)3	115.6657	0.593	6	116.2440	1.700	8	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(H)3	120.2210	0.000	1	120.2210	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<2>,3|H<1>}	C(CC[6]C)(H)3	115.7290	0.814	3	116.9022	3.041	5	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]C)(H)3	118.6620	0.718	2	116.9022	3.041	5	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(CC[6]C)(H)3	117.5850	0.000	1	117.5850	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(CC[6]C)(H)3	119.6030	0.000	1	119.6030	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5a]C[6]H)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5a]C[6]H)2(CCC)(H){2|N<3>,3|C<3>,3|H<1>}	C(CC[6]C)(H)3	118.3810	0.000	1	118.3810	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(H)3	120.1960	1.375	2	119.9978	2.141	6	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C(CC[6]C)(H)3	119.8565	0.199	2	119.9978	2.141	6	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)3	119.9410	2.942	2	119.9978	2.141	6	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(CC[6]C)(H)3	115.2000	0.150	2	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,3|H<1>}	C(CC[6]C)(H)3	117.7460	0.000	1	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	116.0400	0.000	1	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<4>,3|H<1>}	C(CC[6]C)(H)3	115.6070	0.000	1	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)3	116.4610	0.000	1	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C(CC[6]C)(H)3	114.5915	1.742	2	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	118.0470	0.000	1	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)3	115.2690	0.030	2	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<4>}	C(CC[6]C)(H)3	114.5570	0.000	1	115.7149	1.644	12	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(H)3	116.6210	0.000	1	117.7280	2.451	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)3	118.8350	0.000	1	117.7280	2.451	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>}	C(CC[6]C)(H)3	115.0965	0.120	2	115.0965	0.014	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H){2|C<3>}	C(CC[6]C)(H)3	115.4930	0.000	1	115.4930	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(CC[6]C)(H)3	118.1915	0.100	2	116.4802	3.985	4	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(CC[6]C)(H)3	114.4280	0.000	1	116.4802	3.985	4	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,2|O<2>,3|C<3>}	C(CC[6]C)(H)3	115.1100	0.000	1	116.4802	3.985	4	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)3	119.8210	0.000	1	119.8210	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]C)(H)3	117.7260	0.000	1	117.4690	1.513	10	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C(CC[6]C)(H)3	118.7110	0.000	1	117.4690	1.513	10	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)3	117.5360	0.441	2	117.4690	1.513	10	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,2|H<1>}	C(CC[6]C)(H)3	114.3170	0.000	1	117.4690	1.513	10	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,3|H<1>}	C(CC[6]C)(H)3	117.7728	0.593	5	117.4690	1.513	10	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]C)(H)3	117.9610	0.000	1	117.9610	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C(CC[6]C)(H)3	118.3020	0.000	1	118.3020	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]C)(H)3	120.1160	3.130	2	119.0147	5.000	4	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(H)3	117.9135	0.595	2	119.0147	5.000	4	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|B<3>,1|C<4>,1|H<1>,1|O<1>}	C(CC[6]C)(H)3	115.7800	0.000	1	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	C(CC[6]C)(H)3	116.6220	1.755	2	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C(CC[6]C)(H)3	121.1750	0.000	1	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]C)(H)3	115.5770	0.000	1	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C(CC[6]C)(H)3	117.4600	0.000	2	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(H)3	117.6020	0.000	1	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|N<2>}	C(CC[6]C)(H)3	116.2680	2.983	2	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|O<1>}	C(CC[6]C)(H)3	119.6985	3.255	2	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,3|H<1>}	C(CC[6]C)(H)3	115.6755	0.175	2	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(CC[6]C)(H)3	118.9620	0.000	1	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)3	117.4655	0.968	4	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|P<4>,3|H<1>}	C(CC[6]C)(H)3	116.1818	1.323	6	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C(CC[6]C)(H)3	115.0857	1.316	7	116.6593	3.754	32	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C(CC[6]C)(H)3	116.3156	1.269	7	116.3156	1.611	7	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H){1|H<1>,1|O<2>,4|C<3>}	C(CC[6]C)(H)3	115.4550	0.000	1	115.4550	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H){3|C<3>,3|H<1>}	C(CC[6]C)(H)3	118.0175	0.194	2	118.0175	0.038	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	C(CC[6]C)(H)3	118.3915	2.046	2	118.3915	4.185	2	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,2|H<1>}	C(CC[6]C)(H)3	118.5950	0.000	1	118.5950	0.000	1	117.0424	3.619	125	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:N-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(NHO)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H)	C(CC[6]N)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(NHO)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H){2|H<1>,5|C<4>}	C(CC[6]N)(H)3	122.0400	0.000	1	122.0400	0.000	1	122.0400	0.000	1	117.1587	3.742	143	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:2:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:O-2:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHHO)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,4|H<1>}	C(CC[6]C)(OH)(H)2	113.2185	0.291	2	113.2185	0.084	2	113.2185	0.084	2	114.0102	0.884	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:2:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:H-1:H-1:	C(C[6]C[6]2H)(CHHO)(CCH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CCH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(OH)(H)2	114.8020	0.247	2	114.8020	0.061	2	114.8020	0.061	2	114.0102	0.884	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6a]HH)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)(H)2	C(C[6]C[6]2H)(CC[6a]HH)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]C)(H)2	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	117.4265	6.938	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	N[5]-3:C-3:H-1:H-1:	C(C[6]C[6]2H)(CN[5]HH)(CCH)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H)	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	C(C[6]C[6]2H)(CN[5]HH)(CCH)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	117.4265	6.938	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:3:2:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:O-2:H-1:	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	114.4250	0.000	1	114.4250	0.000	1	114.4250	0.000	1	114.4250	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C(CC[6]C)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(CCHH)(H)2	118.2720	0.000	1	118.2720	0.000	1	118.2720	0.000	1	116.8995	3.768	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:Si-4:H-1:H-1:	C(C[6]C[6]2H)(CSiHH)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(SiC3)(H)2	C(C[6]C[6]2H)(CSiHH)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<1>,2|H<1>}	C(CC[6]C)(SiC3)(H)2	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	116.8995	3.768	2	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CHH)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H)	C(CC[3]HO)(CC[6]C)(H)2	C(C[6]C[6]2H)(CCHH)(CHH)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H){1|C<3>,1|C<4>}	C(CC[3]HO)(CC[6]C)(H)2	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	114.7933	1.009	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6]HH)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(C[6]C[6]2H)(CC[6]C)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6]C)(H)2	115.0290	1.298	2	115.0290	1.685	2	115.0290	1.685	2	114.7933	1.009	3	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	4:3:2:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C-3:O-2:H-1:	C(C[6]C[6]2H)(CC[5]HO)(CCH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	C(C[6]C[6]2H)(CC[5]HO)(CCH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]O)(CH3)(CHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	C(CC[6]C)(H)3	C(C[6]C[5,6]C[6]O)(CH3)(CHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	C(CC[6]C)(H)3	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	116.1040	0.076	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH)	C(CC[6]C)(H)3	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH){1|H<1>,1|O<2>,2|C<3>}	C(CC[6]C)(H)3	115.7580	0.000	1	115.7580	0.000	1	116.1247	0.111	3	116.1040	0.076	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:2:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	C(CC[6]C)(H)3	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	C(CC[6]C)(H)3	116.3080	0.143	2	116.3080	0.020	2	116.1247	0.111	3	116.1040	0.076	4	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:3:	4:4:3:3:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2N)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(NHS)	C(CC[6]C)(H)3	C(C[6]C[6]2N)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(NHS){1|C<3>,3|H<1>}	C(CC[6]C)(H)3	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,3|C<3>}	C(CC[6]C)(H)3	119.3670	1.483	4	119.3670	2.198	4	119.2180	1.380	6	119.2180	1.380	6	117.7215	4.238	430	117.7709	4.255	494
930	466	490	0:SP2_SP3_SP3	C	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(H)3	C(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)3	118.9200	0.197	2	118.9200	0.039	2	119.2180	1.380	6	119.2180	1.380	6	117.7215	4.238	430	117.7709	4.255	494
930	466	542	0:SP2_SP2_SP3	C	C[6,6]	N[5]	4:3:1:	4:4:3:1:	4:4:3:	C[6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H)	N[5](C[5]C[6a]C[5]H)2(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(CC[6,6]O){4|C<3>,4|H<1>}	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:C-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(C[6]C[6]N[6]H)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O)	C(N[5]C[5,5,6]S[5])(C[6]C[6]N[6]H)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H){3|C<3>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O){3|C<4>,4|H<1>}	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	3:4:1:	4:4:3:1:	3:4:3:	N[5]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O){2|C<3>,2|H<1>}	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	3:4:1:	4:4:3:1:	4:2:3:	N[5]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:	C(N[5]C[5,6]O[5])(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CC[6]O)	C(N[5]C[5,6]O[5])(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CC[6]O){1|C<4>,2|C<3>,3|H<1>}	117.1080	0.000	1	117.1080	0.000	1	117.1080	0.000	1	117.1080	0.000	1	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	3:3:3:1:	4:4:3:	C[6]-4:N[5]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(C[6]C[6,6a]C[6]H)(N[5]C[5,5,6]S[5])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O)	C(C[6]C[6,6a]C[6]H)(N[5]C[5,5,6]S[5])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O){3|C<4>,4|H<1>}	117.4810	0.000	1	117.4810	0.000	1	117.4810	0.000	1	117.4810	0.000	1	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	3:4:3:1:	4:4:3:	C[6]-4:N[5]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H)	N[5](C[5]C[5]HH)2(CC[6]O)	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5]HH)2(CC[6]O){4|H<1>}	117.2940	0.669	2	117.2940	0.447	2	117.2940	0.447	2	117.2940	0.447	2	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	3:4:3:3:	4:4:3:	C[6]-4:N[5]-3:O-1:	C[6,6a]-3:C[6]-4:C[6]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6]C[6,6a]C[6]2)(N[5]C[5]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	C(C[6]C[6,6a]C[6]2)(N[5]C[5]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:2:3:1:	4:4:3:	C[6]-4:N[5]-3:O-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C(C[6]C[6,6]O[6]H)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H)	N[5](C[5]C[6]S[5]H)(C[5]C[5]CH)(CC[6]O)	C(C[6]C[6,6]O[6]H)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5](C[5]C[6]S[5]H)(C[5]C[5]CH)(CC[6]O){1|C<4>,1|O<2>,3|H<1>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:3:3:1:	4:4:3:	C[6]-4:N[5]-3:O-1:	C[3,6]-4:C[6]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C(C[6]C[3,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H)	N[5](C[5]C[5]HH)2(CC[6]O)	C(C[6]C[3,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H){2|C<4>,6|H<1>}	N[5](C[5]C[5]HH)2(CC[6]O){4|H<1>}	118.1300	0.560	2	118.1300	0.314	2	118.1300	0.314	2	118.1300	0.314	2	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O){2|H<1>}	119.2390	0.069	2	119.2390	0.005	2	118.7343	0.766	3	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O){2|H<1>}	117.7250	0.000	1	117.7250	0.000	1	118.7343	0.766	3	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){1|H<1>}	118.6090	0.000	1	118.6090	0.000	1	118.3330	0.256	3	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H){1|C<4>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O){2|H<1>}	118.1950	0.631	2	118.1950	0.398	2	118.3330	0.256	3	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|C<3>}	118.6890	0.000	1	118.6890	0.000	1	119.1338	0.171	6	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|C<4>}	119.1430	0.000	1	119.1430	0.000	1	119.1338	0.171	6	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|H<1>}	118.9870	0.000	1	118.9870	0.000	1	119.1338	0.171	6	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H){2|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|H<1>}	118.7390	0.000	1	118.7390	0.000	1	119.1338	0.171	6	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|H<1>}	119.6080	0.000	1	119.6080	0.000	1	119.1338	0.171	6	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6]2H)(N[5]C[5]2)(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H){4|C<3>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O){2|H<1>}	119.6370	0.000	1	119.6370	0.000	1	119.1338	0.171	6	118.8337	0.384	12	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:4:	4:3:3:	C[6]-4:N[5]-3:O-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[5]-4:C[5]-3:C-3:	C(C[6]C[6,6]C[6]C)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O)	C(C[6]C[6,6]C[6]C)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]O){2|H<1>}	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	118.7534	2.374	24	118.6506	2.539	25
930	466	542	0:SP2_SP2_SP3	C	C[6]	N[5]	4:3:1:	4:4:3:4:	4:4:3:	C[6]-4:N[5]-3:O-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[5]-4:C[5]-4:C-3:	C(C[6]C[6,6]C[6]C)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3)	N[5](C[5]C[5]HH)2(CC[6]O)	C(C[6]C[6,6]C[6]C)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(CC[6]O){4|H<1>}	122.8160	0.000	1	122.8160	0.000	1	122.8160	0.000	1	122.8160	0.000	1	118.7534	2.374	24	118.6506	2.539	25
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	3:4:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6,6a]-3:C[6,6]-4:C[3x6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6,6a]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6,6a]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	119.6838	1.671	6	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	119.5115	2.003	2	119.5115	4.013	2	119.4166	1.554	5	119.6838	1.671	6	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	118.8895	0.938	2	118.8895	0.880	2	119.4166	1.554	5	119.6838	1.671	6	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	120.2810	0.000	1	120.2810	0.000	1	119.4166	1.554	5	119.6838	1.671	6	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:3:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	124.5940	0.000	1	124.5940	0.000	1	124.5940	0.000	1	124.5940	0.000	1	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:4:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]O){1|C<3>,2|H<1>}	120.0610	0.000	1	120.0610	0.000	1	122.4050	2.559	4	122.4050	2.559	4	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:4:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3x6]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3x6]O){1|C<3>,1|C<4>,1|H<1>}	122.7370	0.000	1	122.7370	0.000	1	122.4050	2.559	4	122.4050	2.559	4	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:4:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,1|H<1>,1|N<3>}	123.2560	0.000	1	123.4110	0.048	2	122.4050	2.559	4	122.4050	2.559	4	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:	4:4:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[3x6]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[3x6]O){1|C<3>,2|H<1>}	123.5660	0.000	1	123.4110	0.048	2	122.4050	2.559	4	122.4050	2.559	4	121.3495	4.241	13	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	3:3:4:3:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O){1|C<3>,1|H<1>,5|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	119.2333	0.657	3	119.2333	0.432	3	119.2333	0.432	3	119.2333	0.432	3	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	3:4:3:3:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	119.8760	0.082	2	119.8760	0.007	2	119.7638	0.109	4	119.7638	0.109	4	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	3:4:3:3:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	119.2840	0.000	1	119.2840	0.000	1	119.7638	0.109	4	119.7638	0.109	4	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	3:4:3:3:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	120.0190	0.000	1	120.0190	0.000	1	119.7638	0.109	4	119.7638	0.109	4	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-4:N[3x6]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(O)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(O)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]O){1|N<2>,2|C<3>,2|H<1>}	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:3:3:4:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[3x6]-4:C[6,6]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6,6]O){1|C<3>,2|H<1>}	121.4870	0.000	1	121.4870	0.000	1	121.4870	0.000	1	121.4870	0.000	1	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:3:4:3:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[5,3x6]-4:C[6,6]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[5,3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[5,3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O){1|C<3>,6|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,1|H<1>,1|O<2>}	123.1840	0.000	1	123.1840	0.000	1	123.1840	0.000	1	123.1840	0.000	1	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	118.5093	0.907	3	118.5093	0.823	3	118.2880	0.687	6	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	117.2120	0.000	1	117.2120	0.000	1	118.2880	0.687	6	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	118.9420	0.000	1	118.9420	0.000	1	118.2880	0.687	6	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(CC[6a]O)(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	118.0460	0.000	1	118.0460	0.000	1	118.2880	0.687	6	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[5,3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[5,3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	120.5700	0.000	1	120.5700	0.000	1	120.5700	0.000	1	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]2)(O)	C[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]O[6,6]C[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]2)(O)	C[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]O[6,6]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	120.4550	0.000	1	120.4550	0.000	1	120.5025	0.005	2	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]2)(O)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]2)(O)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	120.5500	0.000	1	120.5500	0.000	1	120.5025	0.005	2	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	119.5990	0.000	1	119.5990	0.000	1	119.5990	0.000	1	119.1391	1.400	11	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:3:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[3x6]-4:C[3x6]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O)	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CCHH){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O){1|C<3>,2|H<1>}	119.0010	1.004	2	119.0010	1.008	2	118.6017	0.983	3	119.4028	2.717	6	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[3x6]-4:C[3x6]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O)	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CHHN){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O){1|C<3>,2|H<1>}	117.8030	0.000	1	117.8030	0.000	1	118.6017	0.983	3	119.4028	2.717	6	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CCHH){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]O){1|C<3>,2|H<1>}	119.1225	0.868	2	119.1225	0.753	2	120.2040	3.885	3	119.4028	2.717	6	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CH3){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	122.3670	0.000	1	122.3670	0.000	1	120.2040	3.885	3	119.4028	2.717	6	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:	4:4:4:3:	3:3:3:	C[6,6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]O){1|C<3>,2|H<1>}	120.5590	1.243	2	120.5590	1.545	2	120.5590	1.545	2	120.5590	1.545	2	119.6624	1.799	31	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	2:2:3:4:	3:3:3:	C[6a]-3:C[6]-4:O-1:	S[6]-2:S[6]-2:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]S[6]2C)(O)	C[6](S[6]C[6])2(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]S[6]2C)(O)	C[6](S[6]C[6])2(CC[6a]O)(CH3){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]2)2(CC[6]O){2|H<1>,5|C<3>}	118.5720	0.000	1	118.5720	0.000	1	119.5305	1.837	2	119.5305	1.837	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]C)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]C)2(CC[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.4890	0.000	1	120.4890	0.000	1	119.5305	1.837	2	119.5305	1.837	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.7340	0.000	1	119.7340	0.000	1	119.4060	0.215	2	119.4060	0.215	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O){1|C<3>,2|H<1>}	119.0780	0.000	1	119.0780	0.000	1	119.4060	0.215	2	119.4060	0.215	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	117.7010	0.000	1	117.7010	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	121.9520	0.000	1	121.9520	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	123.8380	0.000	1	123.8380	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.9040	0.000	1	118.9040	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.6740	0.000	1	118.6740	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.5120	0.000	1	120.5120	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.5000	0.000	1	120.5000	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.8800	0.000	1	120.8800	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.4030	0.000	1	119.4030	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	120.4710	0.000	1	120.4710	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H){5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	117.8200	0.000	1	117.8200	0.000	1	120.0595	3.336	11	120.0595	3.336	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:3:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	115.8820	0.000	1	115.8820	0.000	1	115.8820	0.000	1	115.8820	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:4:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH){4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	119.3230	0.000	1	119.3230	0.000	1	120.2615	1.762	2	120.2615	1.762	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:3:3:4:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.2000	0.000	1	121.2000	0.000	1	120.2615	1.762	2	120.2615	1.762	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|C<3>,2|H<1>}	118.6303	1.145	4	118.6303	1.310	4	118.7801	0.890	8	118.7801	0.890	8	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|C<3>,2|H<1>}	118.9300	0.840	4	118.9300	0.706	4	118.7801	0.890	8	118.7801	0.890	8	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	116.8860	0.000	1	116.8860	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H){1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C)2(CC[6]O){1|C<3>,2|C<4>}	118.2030	0.000	1	118.2030	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.7775	0.015	2	119.7775	0.000	2	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.9510	0.000	1	120.9510	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6]HH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6]HH)2(CC[6a]O)(H){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	120.9800	0.000	1	120.9800	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	121.0260	0.000	1	121.0260	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	118.4330	0.000	1	118.4330	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.1960	0.000	1	120.8545	0.233	2	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.5130	0.000	1	120.8545	0.233	2	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	119.6780	0.000	1	119.6780	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	121.2270	0.745	2	121.2270	0.555	2	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.2830	0.459	8	120.2830	0.211	8	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.3650	1.561	2	120.3650	2.438	2	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.4960	0.000	1	121.4960	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	122.6017	0.946	3	122.1649	1.627	7	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.8372	1.524	4	122.1649	1.627	7	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	119.0450	0.000	1	119.0450	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.0760	0.941	4	121.0760	0.886	4	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.1350	0.000	1	120.1350	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.7340	0.805	2	119.7340	0.648	2	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.6180	0.000	1	119.6180	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.3430	0.000	1	121.3430	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.4445	0.562	2	119.4445	0.316	2	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.7090	0.000	1	119.7090	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	121.3040	0.000	1	121.3040	0.000	1	120.5185	1.704	45	120.5185	1.704	45	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:2:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.5500	0.000	1	119.5500	0.000	1	121.5653	5.207	3	121.5653	5.207	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:2:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.1030	0.000	1	121.1030	0.000	1	121.5653	5.207	3	121.5653	5.207	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:2:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	124.0430	0.000	1	124.0430	0.000	1	121.5653	5.207	3	121.5653	5.207	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:3:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH){1|C<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	122.7670	0.000	1	122.7670	0.000	1	119.6653	7.227	3	119.6653	7.227	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:3:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CC[6]O){1|C<3>,2|H<1>}	118.0040	0.000	1	118.0040	0.000	1	119.6653	7.227	3	119.6653	7.227	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:3:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	118.2250	0.000	1	118.2250	0.000	1	119.6653	7.227	3	119.6653	7.227	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:4:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	122.8690	0.000	1	122.8690	0.000	1	122.1990	1.198	3	121.6685	1.924	4	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:4:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3){5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.9360	0.000	1	120.9360	0.000	1	122.1990	1.198	3	121.6685	1.924	4	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:4:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(CH3){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	122.7920	0.000	1	122.7920	0.000	1	122.1990	1.198	3	121.6685	1.924	4	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:3:4:	3:3:3:	C[6a]-3:C[6]-4:S-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(S)	C[6](C[6]C[6]HH)2(CC[6a]S)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]S)	C(C[6a]C[6a]2)(C[6]C[6]2C)(S)	C[6](C[6]C[6]HH)2(CC[6a]S)(CH3){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]S){1|C<3>,2|H<1>}	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	121.6685	1.924	4	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:1:	4:4:4:3:	3:3:3:	C[6a]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	123.3505	0.534	2	123.3505	0.285	2	123.3505	0.285	2	123.3505	0.285	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:2:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:2:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)2(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)2(CC[6a]N)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:2:	4:4:3:2:	3:3:3:	C[6a]-3:C[6]-4:N-2:	C[6]-4:C[6]-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	120.7280	1.922	2	120.7280	3.694	2	120.7280	3.694	2	120.7280	3.694	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	121.0020	0.000	1	121.0020	0.000	1	118.2603	5.723	3	118.2603	5.723	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	116.5980	0.000	1	116.5980	0.000	1	118.2603	5.723	3	118.2603	5.723	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	117.1810	0.000	1	117.1810	0.000	1	118.2603	5.723	3	118.2603	5.723	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H){3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	112.8960	0.000	1	112.8960	0.000	1	114.6805	6.369	2	114.6805	6.369	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	116.4650	0.000	1	116.4650	0.000	1	114.6805	6.369	2	114.6805	6.369	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CMnC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CMnC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	117.4980	0.000	1	117.4980	0.000	1	117.4980	0.000	1	117.4980	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:3:3:3:	3:3:3:	C[6a]-3:C[6]-4:C-3:	P-4:C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2P)(CRhH)	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2P)(CRhH)	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	120.9470	0.154	2	120.9470	0.024	2	120.9470	0.024	2	120.9470	0.024	2	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	115.7900	0.000	1	115.7900	0.000	1	116.0909	7.431	10	116.0909	7.431	10	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(CC[6a]C)(H){1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	114.3745	0.996	2	114.3745	0.993	2	116.0909	7.431	10	116.0909	7.431	10	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	115.7593	0.940	3	115.7593	0.884	3	116.0909	7.431	10	116.0909	7.431	10	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	115.6820	0.000	1	115.6820	0.000	1	116.0909	7.431	10	116.0909	7.431	10	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	116.0110	0.000	1	116.0110	0.000	1	116.0909	7.431	10	116.0909	7.431	10	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]N[6]HH)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]N[6]HH)2(CC[6a]C)(H){1|C<4>,2|S<4>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]C){2|H<1>,3|C<3>}	114.0080	0.000	1	114.0080	0.000	1	116.0909	7.431	10	116.0909	7.431	10	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNiC)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNiC)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	123.3910	0.000	1	123.3910	0.000	1	116.0909	7.431	10	116.0909	7.431	10	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:3:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	117.4575	0.788	2	117.4575	0.622	2	117.4575	0.622	2	120.0434	3.205	8	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:3:	3:3:3:	C[6a]-3:C[6]-4:N-3:	C[6]-4:C[6]-4:C-3:O-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2O)(NCuO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OCuH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NCuO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OCuH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	120.1380	0.646	2	120.1380	0.418	2	120.9053	0.797	6	120.0434	3.205	8	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:3:	3:3:3:	C[6a]-3:C[6]-4:N-3:	C[6]-4:C[6]-4:C-3:O-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2O)(NMnO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OMnH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NMnO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OMnH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	121.5730	0.709	2	121.5730	0.502	2	120.9053	0.797	6	120.0434	3.205	8	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	3:4:3:	4:4:3:3:	3:3:3:	C[6a]-3:C[6]-4:N-3:	C[6]-4:C[6]-4:C-3:O-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2O)(NNiO)	C[6](C[6]C[6]HH)2(CC[6a]N)(ONiH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NNiO)	C[6](C[6]C[6]HH)2(CC[6a]N)(ONiH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	121.0050	0.987	2	121.0050	0.974	2	120.9053	0.797	6	120.0434	3.205	8	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	2:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	S[6]-2:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	2:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	S[6]-2:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](S[6]C[5a,6])(C[6]N[6]CC)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](S[6]C[5a,6])(C[6]N[6]CC)(CC[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	N[6]-3:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]N[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]N[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:2:3:2:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]O)	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]O){2|C<3>,2|H<1>,2|O<2>}	116.5590	0.000	2	116.5590	0.000	2	116.5590	0.000	2	116.7157	0.074	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:2:3:2:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-3:O[6]-2:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]O)	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.0290	0.000	1	117.0290	0.000	1	117.0290	0.000	1	116.7157	0.074	3	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H){1|O<2>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:2:3:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-3:S[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.6010	0.000	1	120.6010	0.000	1	120.6010	0.000	1	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.1050	0.000	1	119.1050	0.000	1	120.2157	2.643	8	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.8360	0.000	1	121.8360	0.000	1	120.2157	2.643	8	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.6770	0.000	1	121.6770	0.000	1	120.2157	2.643	8	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.1980	0.000	1	119.1980	0.000	1	120.2157	2.643	8	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	117.6270	0.000	1	117.6270	0.000	1	120.2157	2.643	8	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.5325	0.552	2	120.7610	1.938	3	120.2157	2.643	8	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.2180	0.000	1	120.7610	1.938	3	120.2157	2.643	8	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	119.9786	2.281	11	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	3:4:4:3:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.6410	0.205	2	118.6410	0.042	2	118.6410	0.042	2	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5]2N[6])(S[6]C[5a,6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5]2N[6])(S[6]C[5a,6])(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.4500	0.000	1	118.4500	0.000	1	118.4500	0.000	1	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6]2N[6])(S[6]C[5a,6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6]2N[6])(S[6]C[5a,6])(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.4130	1.325	2	120.4130	1.756	2	120.4130	1.756	2	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.2050	0.000	1	118.2050	0.000	1	118.3132	0.073	6	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.5550	0.000	1	118.5550	0.000	1	118.3132	0.073	6	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	117.8610	0.000	1	117.8610	0.000	1	118.3132	0.073	6	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.4193	0.165	3	118.4193	0.027	3	118.3132	0.073	6	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-2:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]Cl)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]BrH)(S[6]C[6])(CC[6a]O)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]Cl)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]BrH)(S[6]C[6])(CC[6a]O)(Cl){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.2865	1.092	2	120.2865	1.194	2	119.4269	0.790	7	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.4050	0.000	1	118.9450	0.583	2	119.4269	0.790	7	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.4850	0.000	1	118.9450	0.583	2	119.4269	0.790	7	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]C)(S[6]C[5a,6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]C)(S[6]C[5a,6])(CC[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.2050	0.000	1	119.2050	0.000	1	119.4269	0.790	7	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.1600	0.911	2	119.1600	0.829	2	119.4269	0.790	7	119.1947	1.420	19	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:2:3:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	124.6700	0.000	1	124.6700	0.000	1	124.6700	0.000	1	124.6700	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.0820	0.000	1	119.0820	0.000	1	119.9675	1.568	2	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.8530	0.000	1	120.8530	0.000	1	119.9675	1.568	2	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	117.0960	0.000	1	117.0960	0.000	1	117.0960	0.000	1	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.0520	0.199	2	120.0520	0.040	2	120.0520	0.040	2	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.3130	0.000	1	120.3130	0.000	1	118.8462	0.772	6	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.6150	0.793	2	118.3963	0.458	3	118.8462	0.772	6	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	117.9590	0.000	1	118.3963	0.458	3	118.8462	0.772	6	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.7875	0.425	2	118.7875	0.181	2	118.8462	0.772	6	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	123.4260	0.000	1	123.4260	0.000	1	121.9857	1.663	3	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.5920	0.000	1	121.5920	0.000	1	121.9857	1.663	3	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.9390	0.000	1	120.9390	0.000	1	121.9857	1.663	3	119.7264	2.770	14	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:2:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:N[6]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.5200	0.000	1	121.0185	0.376	4	121.0185	0.376	4	121.0185	0.376	4	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:3:3:2:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:N[6]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.1847	0.631	3	121.0185	0.376	4	121.0185	0.376	4	121.0185	0.376	4	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.9088	0.219	5	121.7093	0.151	7	120.9056	1.336	11	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.2105	0.121	2	121.7093	0.151	7	120.9056	1.336	11	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.4785	0.036	2	119.4993	0.008	4	120.9056	1.336	11	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.5200	0.144	2	119.4993	0.008	4	120.9056	1.336	11	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.6877	0.846	3	119.6877	0.716	3	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.5820	0.000	1	121.5820	0.000	1	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.7810	0.000	1	120.7810	0.000	1	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.1595	0.317	2	119.1595	0.101	2	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H){1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.0120	0.000	1	119.0120	0.000	1	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.2800	0.000	1	121.2800	0.000	1	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	117.9705	1.464	4	117.9705	2.143	4	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.1300	0.000	1	118.4587	1.103	3	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	117.6120	0.000	1	118.4587	1.103	3	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.6340	0.000	1	118.4587	1.103	3	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.6630	0.000	1	119.6630	0.000	1	119.2328	1.957	17	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	118.3270	0.000	1	118.3270	0.000	1	119.8920	2.472	4	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.6790	0.955	2	119.6790	0.911	2	119.8920	2.472	4	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	121.8830	0.000	1	121.8830	0.000	1	119.8920	2.472	4	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	119.0680	0.000	1	119.0680	0.000	1	119.9353	0.594	3	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.5410	0.000	1	120.5410	0.000	1	119.9353	0.594	3	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	120.1970	0.000	1	120.1970	0.000	1	119.9353	0.594	3	119.8941	2.117	35	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:1:	4:4:3:2:	3:2:3:	C[6]-4:C[6a]-3:O-1:	C[6,6]-4:C[6]-4:C-3:S-2:	C[6a]-3:N[6a]-2:C-3:	C(C[6]C[6,6]C[6]S)(C[6a]C[6a]N[6a])(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(SC[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O)	C(C[6]C[6,6]C[6]S)(C[6a]C[6a]N[6a])(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(SC[6a]){1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6070	0.000	1	122.6070	0.000	1	122.6070	0.000	1	122.6070	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:3:	C[6]-4:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	119.7078	4.173	211	119.7860	3.995	255
930	466	643	0:SP2_SP2_SP3	C	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	119.7078	4.173	211	119.7860	3.995	255