762	286	466	0:SP2_SP2_SP3	C[3x6]	S[6]	C[3x6]	4:3:2:	3:2:	3:4:4:1:	C[3x6]-4:C[3x6]-3:S[6]-2:	C[3x6]-3:S[6]-2:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6])	S[6](C[3x6]C[3x6]2)(S[6]C[3x6])	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6]){1|C<3>,3|C<4>,5|H<1>}	S[6](C[3x6]C[3x6]2)(S[6]C[3x6]){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1
762	286	466	6:SP2_SP2_SP3	C[6,6]	S[6]	C[6,6]	4:3:2:	3:4:	3:4:3:1:	C[6,6]-4:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6])	S[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	2:4:1:	3:3:	4:3:3:1:	S[6]-2:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:	C[6]-4:C[6]-3:N-3:H-1:	C[6](S[6]C[5a,6])(C[6]C[6]HN)(O)	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H){4|C<3>}	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	2:4:3:	3:3:	2:3:1:1:	S[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC){2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2{2|C<3>}	116.5630	0.000	1	116.5630	0.000	1	116.1965	0.269	2	116.1965	0.269	2	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	2:4:3:	3:3:	2:3:1:1:	S[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	O[6]-2:C[6]-3:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C){2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2{2|C<3>}	115.8300	0.000	1	115.8300	0.000	1	116.1965	0.269	2	116.1965	0.269	2	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	2:4:3:	3:3:	4:3:1:1:	S[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6]){1|H<1>,1|O<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2{2|C<3>}	116.3503	0.503	3	116.3503	0.253	3	116.3395	0.169	4	116.6303	0.491	6	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	2:4:3:	3:3:	4:3:1:1:	S[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CP[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CP[6]C){1|H<1>,1|O<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2{2|C<3>}	116.3070	0.000	1	116.3070	0.000	1	116.3395	0.169	4	116.6303	0.491	6	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	2:4:3:	3:3:	4:3:1:1:	S[6]-2:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2{1|C<4>,3|C<3>}	117.2120	0.964	2	117.2120	0.930	2	117.2120	0.930	2	116.6303	0.491	6	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:1:	3:3:	2:3:1:1:	C[6]-4:S[6]-2:H-1:	C[5,6]-3:C[6]-3:	S[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](S[6]C[5,6])(C[6]S[6]H)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]H)(H)2{1|C<3>,1|S<2>}	124.9900	13.574	2	124.9900	184.243	2	124.9900	184.243	2	124.9900	184.243	2	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:1:	3:3:	2:3:4:1:	C[6]-4:S[6]-2:H-1:	C[5,6]-3:C[6]-3:	S[6]-2:C[6]-3:C-4:H-1:	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H){1|C<3>,1|S<2>}	113.6490	0.000	1	113.6490	0.000	1	113.6490	0.000	1	113.6490	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:1:	3:3:	3:3:3:4:	C[6]-4:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S)	S[6](C[6]C[6]S)(C[6]O[6]C)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S){1|O<1>,1|O<2>,3|C<3>}	S[6](C[6]C[6]S)(C[6]O[6]C){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	116.6610	0.000	1	116.6610	0.000	1	116.6610	0.000	1	116.6610	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:1:	4:3:	3:2:1:1:	C[6]-4:S[6]-2:Cl-1:	C[5,6]-4:C[6]-3:	C[6]-3:S[6]-2:Cl-1:Cl-1:	C[6](C[6]S[6]Cl2)(S[6]C[5,6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl)	C[6](C[6]S[6]Cl)(S[6]C[5,6])(Cl)2	C[6](C[6]S[6]Cl2)(S[6]C[5,6])(Cl){1|Cl<1>,1|C<4>,1|S<2>}	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl){3|Cl<1>,1|C<3>,2|S<2>}	C[6](C[6]S[6]Cl)(S[6]C[5,6])(Cl)2{1|Cl<1>,1|C<4>,1|S<2>}	112.5860	0.000	1	112.5860	0.000	1	112.5860	0.000	1	112.5860	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:1:	4:3:	4:3:1:1:	C[6]-4:S[6]-2:O-1:	C[5,6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[5,6])(O)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(O){2|C<4>,3|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:2:	3:3:	3:3:3:4:	C[6]-4:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]N)(C[6]O[6]C)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a]){1|O<1>,1|O<2>,3|C<3>}	S[6](C[6]C[6]N)(C[6]O[6]C){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH){2|H<1>,3|C<3>}	117.6440	0.000	1	117.6440	0.000	1	117.6440	0.000	1	117.6440	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:3:	3:3:	2:3:1:1:	C[6]-4:S[6]-2:C-3:	C[5,6]-3:C[6]-3:	S[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)	C[6](S[6]C[5,6])(C[6]S[6]C)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]C){1|C<3>,2|H<1>,2|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]C)(H)2{1|C<3>,1|S<2>}	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:3:	3:3:	4:3:1:1:	C[6]-4:S[6]-2:C-3:	C[5,6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH)	S[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH){1|N<2>,1|O<2>,2|C<3>}	S[6](C[5,6]C[5,6]N[5])(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2{4|C<3>}	119.4620	0.381	3	119.4620	0.145	3	119.4620	0.145	3	118.3342	5.184	4	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:3:	3:3:	4:3:1:1:	C[6]-4:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CHI)	S[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CHI){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	S[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2{4|C<3>}	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	118.3342	5.184	4	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:2:3:	3:3:	4:3:4:3:	C[6]-4:S[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6a]-3:P[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C)	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C){2|C<4>,2|H<1>,4|C<3>}	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	466	6:SP2_SP2_SP3	C[6]	S[6]	C[6]	4:3:2:	3:4:	3:3:2:1:	C[6]-4:C[5]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:S[6]-2:H-1:	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6])	S[6](C[6]C[5]C[6])(C[6]C[6]HH)	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	S[6](C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	117.8290	17.329	23	117.7854	16.621	24
762	286	474	6:SP2_SP2_SP3	C[6]	S[6]	C[5,6]	4:2:1:	4:3:	2:3:2:2:	C[5,6]-4:S[6]-2:O-1:	C[5,6,6]-4:C[6]-3:	S[6]-2:C[6]-3:S[5]-2:S[5]-2:	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O)	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O){1|H<1>,2|C<3>,2|C<4>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O){2|H<1>,3|C<4>,3|S<2>}	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2{1|H<1>,2|C<3>,2|C<4>}	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1
762	286	478	6:SP2_SP2_SP3	C[6]	S[6]	C[4,6]	4:2:1:	3:3:	4:4:3:1:	C[4,6]-4:S[6]-2:O-1:	C[6,6a]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6](C[4,6]C[4,6]2H)(S[6]C[6,6a])(O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]S[6]O)(H)	C[6](C[4,6]C[4,6]2H)(S[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]S[6]O)(H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	120.9172	0.589	4	120.9172	0.347	4	120.9172	0.347	4	120.9172	0.347	4	120.9172	0.347	4	120.9172	0.347	4
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	2:2:4:	3:3:	3:1:1:1:	N[6]-2:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[6]C[6,6a])(S[6]C[6])(CH3)	S[6](C[6]C[6,6a]C)(C[6]N[6]C)	C(C[6]N[6]S[6])(H)3	C[6](N[6]C[6,6a])(S[6]C[6])(CH3){3|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]C){2|C<3>}	C(C[6]N[6]S[6])(H)3	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	2:3:4:	3:3:	3:1:1:1:	S[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](S[6]C[6,6a])(N[6]Si[6]V)(CH3)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]S[6])(H)3	C[6](S[6]C[6,6a])(N[6]Si[6]V)(CH3){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Si<5>,1|H<1>,1|V<8>,2|C<3>}	C(C[6]N[6]S[6])(H)3	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	2:3:4:	3:3:	3:4:1:1:	S[6]-2:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH)	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C(C[6]C[6]S[6])(CCHH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH){2|C<3>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|H<1>,2|S<2>}	C(C[6]C[6]S[6])(CCHH)(H)2	106.0120	0.000	1	106.0120	0.000	1	106.0120	0.000	1	106.0120	0.000	1	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3)	S[6](C[6]C[5,6]C)(C[6]C[6]N)	C(C[6]C[5,6]S[6])(H)3	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	S[6](C[6]C[5,6]C)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[5,6]S[6])(H)3	112.8530	0.117	2	112.8530	0.014	2	112.8530	0.014	2	113.1427	1.730	15	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]S[6])(H)3	114.8943	0.586	3	114.8943	0.343	3	113.1872	2.002	13	113.1427	1.730	15	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)(C[6]C[6]P)	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|P<4>}	S[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|C<4>,1|S<2>}	C(C[6]C[6]S[6])(H)3	113.9020	0.454	2	113.9020	0.206	2	113.1872	2.002	13	113.1427	1.730	15	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)2	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|C<4>}	S[6](C[6]C[6]C)2{1|S<2>,2|C<3>}	C(C[6]C[6]S[6])(H)3	111.8327	0.467	6	112.3684	1.142	8	113.1872	2.002	13	113.1427	1.730	15	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)2	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3){2|C<3>}	S[6](C[6]C[6]C)2{1|C<4>,1|P<4>,1|S<2>}	C(C[6]C[6]S[6])(H)3	113.9755	0.138	2	112.3684	1.142	8	113.1872	2.002	13	113.1427	1.730	15	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	4:3:	3:2:1:1:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-3:O-2:H-1:H-1:	C[6](C[6]S[6]C)(S[6]C[6])(CHHO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]S[6])(OC)(H)2	C[6](C[6]S[6]C)(S[6]C[6])(CHHO){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|S<2>,2|H<1>}	C(C[6]C[6]S[6])(OC)(H)2	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	4:3:	3:2:4:4:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-3:O-2:C-4:C-4:	C[6](C[6]C[6]H)(S[6]C[6])(CCCO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C[6](C[6]C[6]H)(S[6]C[6])(CCCO){1|C<4>,1|O<1>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]S[6])(OC[6a])(CH3)2	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	4:3:	3:4:1:1:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH)	S[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C(C[6]C[6]S[6])(CH3)(H)2	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,2|C<3>}	C(C[6]C[6]S[6])(CH3)(H)2	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	112.1169	5.662	22	112.1169	5.662	22
762	286	490	0:SP2_SP2_SP3	C[6]	S[6]	C	3:2:4:	4:3:	4:3:2:1:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:	C[5]-4:C[6]-3:O-2:H-1:	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|S<2>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	112.1169	5.662	22	112.1169	5.662	22
762	286	542	6:SP2_SP2_SP2	C[6]	S[6]	N[5,6]	3:2:1:	3:3:	3:4:3:	N[5,6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S)	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S)	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S){1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S){1|C<3>,3|H<1>}	117.2530	0.000	2	117.2693	0.001	3	117.2693	0.001	3	117.2693	0.001	3	117.2693	0.001	3	117.2693	0.001	3
762	286	542	6:SP2_SP2_SP2	C[6]	S[6]	N[5,6]	3:2:1:	3:3:	3:4:3:	N[5,6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S)	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S)	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S){1|C<4>,1|S<1>,2|H<1>,2|N<2>}	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S){1|C<3>,2|H<1>}	117.3020	0.000	1	117.2693	0.001	3	117.2693	0.001	3	117.2693	0.001	3	117.2693	0.001	3	117.2693	0.001	3
762	286	622	6:SP2_SP2_SP2	C[6]	S[6]	O[6]	2:2:1:	4:3:	4:3:	O[6]-2:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:	C[6](O[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]C[5,6]HH)(C[6]O[6]S)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S)	C[6](O[6]C[5,6])(S[6]C[6])(S){2|C<4>,3|H<1>}	S[6](C[6]C[5,6]HH)(C[6]O[6]S){1|C<4>,1|H<1>,1|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S){2|C<4>,2|H<1>,2|O<2>}	124.3560	0.000	1	124.3560	0.000	1	123.8710	0.231	3	123.8710	0.231	3	119.6353	21.715	6	119.6353	21.715	6
762	286	622	6:SP2_SP2_SP2	C[6]	S[6]	O[6]	2:2:1:	4:3:	4:3:	O[6]-2:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:	C[6](O[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]C[5,6]HH)(C[6]O[6]S)	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S)	C[6](O[6]C[5,6])(S[6]C[6])(S){2|C<4>,3|H<1>}	S[6](C[6]C[5,6]HH)(C[6]O[6]S){1|C<4>,1|H<1>,1|O<2>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S){1|O<2>,2|C<4>,3|H<1>}	123.6285	0.330	2	123.6285	0.109	2	123.8710	0.231	3	123.8710	0.231	3	119.6353	21.715	6	119.6353	21.715	6
762	286	622	6:SP2_SP2_SP2	C[6]	S[6]	O[6]	2:2:3:	3:3:	3:3:	O[6]-2:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]N)(C[6]O[6]C)	O[6](C[6]C[6]O)(C[6]S[6]C)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|N<2>,1|O<1>}	S[6](C[6]C[6]N)(C[6]O[6]C){1|C<4>,2|C<3>}	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<4>,2|C<3>}	115.8840	0.000	1	115.8840	0.000	1	115.6415	0.118	2	115.6415	0.118	2	119.6353	21.715	6	119.6353	21.715	6
762	286	622	6:SP2_SP2_SP2	C[6]	S[6]	O[6]	2:2:3:	3:3:	3:3:	O[6]-2:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]S)(C[6]O[6]C)	O[6](C[6]C[6]O)(C[6]S[6]C)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|O<1>,1|S<1>}	S[6](C[6]C[6]S)(C[6]O[6]C){1|C<4>,2|C<3>}	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<4>,2|C<3>}	115.3990	0.000	1	115.3990	0.000	1	115.6415	0.118	2	115.6415	0.118	2	119.6353	21.715	6	119.6353	21.715	6
762	286	622	6:SP2_SP2_SP2	C[6]	S[6]	O[6]	2:2:3:	4:3:	3:3:	O[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]HS)(C[6]O[6]C)	O[6](C[6]C[6]O)(C[6]S[6]C)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	S[6](C[6]C[6]HS)(C[6]O[6]C){1|C<4>,2|C<3>}	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<3>,2|C<4>}	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	119.6353	21.715	6	119.6353	21.715	6
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:2:2:	3:4:	3:3:3:	C[6a]-3:N[6]-2:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	S[6](C[6]C[6a]N[6])(C[6]C[6]HH)	C[6a](C[6]N[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	S[6](C[6]C[6a]N[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]N[6]S[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:2:2:	4:3:	3:3:3:	C[6a]-3:N[6]-2:S[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	S[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6a](C[6]N[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	S[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]S[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:S[6]-2:C[6]-3:	C[5,6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H){1|H<1>,1|S<2>,3|C<3>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:S[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])	C[6a](C[6]C[5,6]S[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a]){1|C<4>,1|H<1>,7|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[5,6]S[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[5,6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6]){1|S<2>,2|H<1>,5|C<3>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6]){2|S<2>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	108.9000	4.461	4	108.9000	19.898	4	108.9000	19.898	4	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6]){1|S<2>,2|H<1>,5|C<3>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]){2|S<2>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	112.9105	0.387	2	112.9105	0.150	2	112.9105	0.150	2	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S){2|C<4>,3|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	110.5090	0.000	1	110.5090	0.000	1	111.3588	4.048	5	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6]){2|H<1>,7|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){5|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	110.5010	0.878	3	110.5010	0.772	3	111.3588	4.048	5	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]C[6]){1|S<1>,2|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S){1|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.7820	0.000	1	114.7820	0.000	1	111.3588	4.048	5	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	S[6](C[6]C[6a]C[6])2	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6])2{3|C<4>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	113.7740	0.557	2	113.7740	0.310	2	113.9818	2.292	12	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]N[6]S)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	S[6](C[6]C[6a]C[6])(C[6]N[6]S){1|H<1>,3|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.0370	0.000	1	116.0370	0.000	1	113.9818	2.292	12	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	113.1127	0.981	6	113.3584	0.896	8	113.9818	2.292	12	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){2|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.0955	0.124	2	113.3584	0.896	8	113.9818	2.292	12	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	117.3300	0.000	1	117.3300	0.000	1	113.9818	2.292	12	112.4497	8.101	24	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]N[4,6]CC)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]N[4,6]CC){1|C<4>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	109.7000	0.000	1	109.7000	0.000	1	110.4982	2.589	4	111.1827	2.212	7	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	S[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.7643	1.860	3	110.7643	3.459	3	110.4982	2.589	4	111.1827	2.212	7	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	S[6](C[6]C[6a]C[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	112.5400	0.000	1	112.5400	0.000	1	112.0953	0.566	3	111.1827	2.212	7	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	S[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	111.8730	0.914	2	111.8730	0.835	2	112.0953	0.566	3	111.1827	2.212	7	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	4:3:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	S[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6]){1|I<1>,1|N<2>,3|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	111.9730	0.000	1	111.9730	0.000	1	111.9730	0.000	1	113.6650	5.726	2	112.3499	6.175	37	112.3499	6.175	37
762	286	643	0:SP2_SP2_SP2	C[6]	S[6]	C[6a]	3:3:2:	4:3:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	113.6650	5.726	2	112.3499	6.175	37	112.3499	6.175	37
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	S[6](C[6]C[5]N[6])(C[6]C[6,6a]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[6](C[6]C[5]N[6])(C[6]C[6,6a]S){1|Fe<10>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,2|H<1>}	118.5590	0.000	1	118.5590	0.000	1	119.4773	0.651	3	119.4773	0.651	3	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	S[6](C[6]C[6,6a]S)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	S[6](C[6]C[6,6a]S)(C[6]N[6]S){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	119.8000	0.000	1	119.8000	0.000	1	119.4773	0.651	3	119.4773	0.651	3	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	120.0730	0.000	1	120.0730	0.000	1	119.4773	0.651	3	119.4773	0.651	3	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC)	S[6](C[6]C[6,6a]N)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[6](C[6]C[6,6a]N)(C[6]N[6]N){2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]N){2|C<3>,2|H<1>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<3>,3|C<3>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C){1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C){2|H<1>,3|C<3>}	116.3940	0.000	1	116.3940	0.000	1	117.5420	2.636	2	117.1324	3.460	8	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C){2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.6900	0.000	1	118.6900	0.000	1	117.5420	2.636	2	117.1324	3.460	8	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]N){2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){2|C<3>,2|H<1>}	118.6600	0.000	1	118.6600	0.000	1	117.9245	3.154	4	117.1324	3.460	8	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]C){2|H<1>,3|C<3>}	119.6810	0.000	1	119.6810	0.000	1	117.9245	3.154	4	117.1324	3.460	8	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	S[6](C[6]C[6,6a]C)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]C){2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){2|C<3>,2|H<1>}	115.5100	0.000	1	115.5100	0.000	1	117.9245	3.154	4	117.1324	3.460	8	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	S[6](C[6]C[6,6a]C)(C[6]N[6]N){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){1|Cl<1>,1|H<1>,2|C<3>}	117.8470	0.000	1	117.8470	0.000	1	117.9245	3.154	4	117.1324	3.460	8	117.8906	3.580	12	117.8906	3.580	12
762	286	643	6:SP2_SP2_SP2	C[6]	S[6]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]S[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH){5|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]S[6]C){2|H<1>,5|C<3>}	115.1385	1.152	2	115.1385	1.327	2	115.1385	1.327	2	117.1324	3.460	8	117.8906	3.580	12	117.8906	3.580	12
762	286	727	0:SP2_SP2_SP2	C[6]	S[6]	C[5a]	3:2:2:	3:2:	2:2:3:	C[5a]-3:S[6]-2:S[6]-2:	C[6]-3:C[6]-2:	S[5a]-2:S[5a]-2:C[6]-3:	C[6](C[5a]S[5a]2)(S[6]C[6])2	S[6](C[6]C[5a]S[6])(C[6]C[6])	C[5a](S[5a]C[5,5a])2(C[6]S[6]2)	C[6](C[5a]S[5a]2)(S[6]C[6])2{1|C<4>,2|C<3>,2|H<1>}	S[6](C[6]C[5a]S[6])(C[6]C[6]){1|C<4>,2|H<1>,2|S<2>}	C[5a](S[5a]C[5,5a])2(C[6]S[6]2){1|C<2>,1|C<4>,2|S<2>}	118.1180	0.000	1	118.1180	0.000	1	118.1180	0.000	1	118.1180	0.000	1	118.5693	2.160	23	118.5693	2.160	23
762	286	727	0:SP2_SP2_SP2	C[6]	S[6]	C[5a]	3:2:2:	3:4:	2:2:3:	C[5a]-3:S[6]-2:S[6]-2:	C[6]-3:C[6]-4:	S[5a]-2:S[5a]-2:C[6]-3:	C[6](C[5a]S[5a]2)(S[6]C[6])2	S[6](C[6]C[5a]S[6])(C[6]C[6]HH)	C[5a](S[5a]C[5,5a])2(C[6]S[6]2)	C[6](C[5a]S[5a]2)(S[6]C[6])2{1|C<4>,2|C<3>,2|H<1>}	S[6](C[6]C[5a]S[6])(C[6]C[6]HH){1|C<2>,2|H<1>,2|S<2>}	C[5a](S[5a]C[5,5a])2(C[6]S[6]2){1|C<2>,1|C<4>,2|S<2>}	119.0440	0.000	1	118.7325	1.895	21	118.7325	1.895	21	118.7325	1.895	21	118.5693	2.160	23	118.5693	2.160	23
762	286	727	0:SP2_SP2_SP2	C[6]	S[6]	C[5a]	3:2:2:	3:4:	2:2:3:	C[5a]-3:S[6]-2:S[6]-2:	C[6]-3:C[6]-4:	S[5a]-2:S[5a]-2:C[6]-3:	C[6](C[5a]S[5a]2)(S[6]C[6])2	S[6](C[6]C[5a]S[6])(C[6]C[6]HH)	C[5a](S[5a]C[5,5a])2(C[6]S[6]2)	C[6](C[5a]S[5a]2)(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	S[6](C[6]C[5a]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	C[5a](S[5a]C[5,5a])2(C[6]S[6]2){2|C<4>,2|S<2>}	118.7169	1.410	20	118.7325	1.895	21	118.7325	1.895	21	118.7325	1.895	21	118.5693	2.160	23	118.5693	2.160	23
762	286	727	0:SP2_SP2_SP2	C[6]	S[6]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[6,6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6])	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a])	C[5a](C[6]C[5a,6]S[6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[6]C[5a,6]S[6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	115.5930	0.000	1	115.5930	0.000	1	115.5930	0.000	1	115.5930	0.000	1	118.5693	2.160	23	118.5693	2.160	23
762	286	727	6:SP2_SP2_SP2	C[6]	S[6]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)	S[6](C[6]C[5a,6]H)(C[6]C[6]S)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H){1|S<1>,1|S<4>,3|C<3>}	S[6](C[6]C[5a,6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H){1|C<4>,3|C<3>}	121.3810	0.000	1	121.3810	0.000	1	121.3810	0.000	1	121.3810	0.000	1	120.1412	1.004	4	120.1412	1.004	4
762	286	727	6:SP2_SP2_SP2	C[6]	S[6]	C[5a,6]	3:2:1:	4:3:	3:3:3:	C[5a,6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S)	S[6](C[6]C[6a]S[6]O)(C[6]C[5a,6]S)	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	S[6](C[6]C[6a]S[6]O)(C[6]C[5a,6]S){1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S){1|C<3>,1|C<4>,1|S<2>}	119.3305	0.117	2	119.3305	0.014	2	119.3305	0.014	2	119.3305	0.014	2	120.1412	1.004	4	120.1412	1.004	4
762	286	727	6:SP2_SP2_SP2	C[6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6])	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a])	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]C[5a]S[6])(N[5a]C[5a]Ni)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]C[5a]S[6])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,4|C<3>}	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	120.1412	1.004	4	120.1412	1.004	4
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:2:3:	3:3:	3:4:1:	C[6,6]-3:S[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,3|C<4>}	114.2430	0.000	1	114.2430	0.000	1	114.2430	0.000	1	114.2430	0.000	1	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:3:2:	3:2:	3:3:1:	C[6]-3:C[6,6]-3:S[6]-2:	C[6,6]-3:N[6]-2:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6])	S[6](C[6,6]C[6,6]C[6])(N[6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|N<3>,1|S<2>,3|N<2>}	121.4210	0.000	2	121.4210	0.000	2	121.4210	0.000	2	121.4210	0.000	2	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6]-3:C[6]-3:S[6]-2:	C[5,6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6])	S[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6]){1|O<1>,1|S<2>,3|C<3>}	S[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6]){1|O<1>,2|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O){1|H<1>,1|S<2>,4|C<3>}	114.1645	0.361	2	114.1645	0.131	2	114.1645	0.131	2	116.1188	3.219	5	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6,6]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	117.3580	0.000	1	117.3580	0.000	1	117.4345	0.012	2	116.1188	3.219	5	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6,6]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	117.5110	0.000	1	117.5110	0.000	1	117.4345	0.012	2	116.1188	3.219	5	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:3:2:	3:3:	3:3:1:	N[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6])	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a])	C[6](C[6,6]N[6,6]S[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	C[6](C[6,6]N[6,6]S[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	116.1188	3.219	5	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:3:2:	3:3:	4:3:1:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H){1|H<1>,1|N<2>,6|C<3>}	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:3:2:	3:4:	3:3:1:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6])	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]S[6])2(O)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]S[6])2(O){1|C<3>,2|C<4>,2|S<2>}	112.5480	0.972	2	112.5480	0.944	2	112.5480	0.944	2	112.5480	0.944	2	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	3:3:2:	3:4:	3:4:3:	N[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6])	S[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO)	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	S[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO){2|C<4>,4|C<3>}	124.7450	0.000	1	124.7450	0.000	1	124.7450	0.000	1	124.7450	0.000	1	117.4824	14.877	13	117.4824	14.877	13
762	286	762	0:SP2_SP2_SP2	C[6,6]	S[6]	C[6]	4:3:2:	3:4:	3:4:1:	C[6,6]-4:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6])	S[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	120.5820	0.000	1	120.5820	0.000	1	120.5820	0.000	1	120.5820	0.000	1	117.4824	14.877	13	117.4824	14.877	13
762	286	762	6:SP2_SP2_SP2	C[3x6]	S[6]	C[3x6]	4:3:2:	3:2:	3:4:3:	C[3x6]-4:C[3x6]-3:S[6]-2:	C[3x6]-3:S[6]-2:	C[3x6]-3:C[3x6]-4:C[3x6]-3:	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6])	S[6](C[3x6]C[3x6]2)(S[6]C[3x6])	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6]){1|C<3>,3|C<4>,5|H<1>}	S[6](C[3x6]C[3x6]2)(S[6]C[3x6]){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2){1|S<2>,5|C<4>,6|H<1>}	122.2020	0.000	1	122.2020	0.000	1	122.2020	0.000	1	122.2020	0.000	1	122.2020	0.000	1	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6,6]	S[6]	C[6,6]	3:2:3:	3:3:	3:3:4:	C[6,6]-3:S[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	124.1390	0.000	1	124.1390	0.000	1	124.1390	0.000	1	124.1390	0.000	1	122.5759	13.055	10	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6,6]	S[6]	C[6,6]	3:3:2:	3:2:	3:3:2:	C[6]-3:C[6,6]-3:S[6]-2:	C[6,6]-3:N[6]-2:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6])	S[6](C[6,6]C[6,6]C[6])(N[6]C[6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	118.4560	0.000	2	118.4560	0.000	2	118.4560	0.000	2	118.4560	0.000	2	122.5759	13.055	10	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6,6]	S[6]	C[6,6]	3:3:2:	3:3:	3:2:3:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6]-3:N[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	119.5320	0.000	1	119.5320	0.000	1	119.5320	0.000	1	119.5320	0.000	1	122.5759	13.055	10	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6,6]	S[6]	C[6,6]	3:3:2:	3:3:	3:3:2:	C[6,6]-3:C[6]-3:S[6]-2:	C[5,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6])	S[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6]){1|O<1>,1|S<2>,3|C<3>}	S[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6]){1|O<1>,2|S<2>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6]){1|O<1>,1|S<2>,3|C<3>}	124.0375	0.299	2	124.0375	0.089	2	124.0375	0.089	2	122.2957	4.177	4	122.5759	13.055	10	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6,6]	S[6]	C[6,6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6,6]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	120.9450	0.000	1	120.9450	0.000	1	120.5540	0.306	2	122.2957	4.177	4	122.5759	13.055	10	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6,6]	S[6]	C[6,6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6,6]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,2|C<3>,2|N<2>}	120.1630	0.000	1	120.1630	0.000	1	120.5540	0.306	2	122.2957	4.177	4	122.5759	13.055	10	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6,6]	S[6]	C[6,6]	3:3:2:	3:4:	3:3:2:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6])	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	127.9965	0.480	2	127.9965	0.231	2	127.9965	0.231	2	127.9965	0.231	2	122.5759	13.055	10	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:1:	3:3:	2:3:1:	S[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	S[6]-2:C[6]-3:H-1:	C[6](S[6]C[5,6])(C[6]S[6]H)(H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](S[6]C[5,6])(C[6]S[6]H)(H)	C[6](S[6]C[5,6])(C[6]S[6]H)(H){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,1|H<1>,2|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]H)(H){1|C<3>,1|S<2>}	123.5423	0.430	10	123.5423	0.185	10	123.5423	0.185	10	123.5423	0.185	10	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:1:	3:3:	2:3:4:	S[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	S[6]-2:C[6]-3:C-4:	C[6](S[6]C[5a,6])(C[6]S[6]C)(H)	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH)	C[6](S[6]C[5a,6])(C[6]S[6]C)(H){2|C<3>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,2|S<2>}	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH){2|C<3>}	137.7760	0.000	1	137.7760	0.000	1	137.7760	0.000	1	137.7760	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:1:	3:3:	3:3:1:	S[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](S[6]C[5,6])(C[6]C[6]H)(H)	S[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]S[6]H)(H)	C[6](S[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	S[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]S[6]H)(H){2|C<3>}	127.5810	2.160	2	127.5810	4.663	2	127.5810	4.663	2	124.7693	26.048	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:1:	3:3:	3:3:1:	S[6]-2:C[6]-3:S-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]H)(S)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6](C[6]C[6,6a]H)(C[6]S[6]S)(H)	C[6](S[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]S[6]S)(H){2|C<3>}	119.1460	0.000	1	119.1460	0.000	1	119.1460	0.000	1	124.7693	26.048	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:1:	3:3:	4:3:1:	S[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](S[6]C[5a,6])(C[6]C[6]H)(H)	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H)	C[6](S[6]C[5a,6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H){2|C<3>}	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:1:	6:3:	2:3:3:	S[6]-2:C[6]-3:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:	S[6]-2:C[6]-3:C-3:	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H)	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O)	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H){1|C<6>,4|B<6>}	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H){1|C<3>,1|S<2>,4|H<1>,5|B<6>}	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O){1|C<6>,4|B<6>}	130.8090	0.000	2	130.8090	0.000	2	130.8090	0.000	2	130.8090	0.000	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:2:	3:3:	2:3:2:	S[6]-2:C[6]-3:S-2:	C[5,6]-3:C[6]-3:	S[6]-2:C[6]-3:S-2:	C[6](S[6]C[5,6])(C[6]S[6]S)(SC)	S[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]S)	C[6](S[6]C[5,6])(C[6]S[6]S)(SC)	C[6](S[6]C[5,6])(C[6]S[6]S)(SC){2|C<3>}	S[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]S){2|S<2>,3|C<3>}	C[6](S[6]C[5,6])(C[6]S[6]S)(SC){2|C<3>}	123.1810	0.742	2	123.1810	0.551	2	123.1810	0.551	2	122.6128	0.669	16	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:2:	3:3:	2:3:2:	S[6]-2:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:	S[6]-2:C[6]-3:S-2:	C[6](S[6]C[6,6a])(C[6]S[6]S)(SC)	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)	C[6](S[6]C[6,6a])(C[6]S[6]S)(SC)	C[6](S[6]C[6,6a])(C[6]S[6]S)(SC){1|C<3>,1|N<2>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S){1|C<3>,1|N<2>,2|S<2>}	C[6](S[6]C[6,6a])(C[6]S[6]S)(SC){1|C<3>,1|N<2>}	124.0810	0.000	1	124.0810	0.000	1	122.5316	0.672	14	122.6128	0.669	16	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:2:	3:3:	2:3:2:	S[6]-2:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:	S[6]-2:C[6]-3:S-2:	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi)	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi){2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi){2|C<3>}	122.0708	0.415	9	122.0708	0.172	9	122.5316	0.672	14	122.6128	0.669	16	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:2:	3:3:	2:3:2:	S[6]-2:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:	S[6]-2:C[6]-3:S-2:	C[6](S[6]C[6,6a])(C[6]S[6]S)(SPt)	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)	C[6](S[6]C[6,6a])(C[6]S[6]S)(SPt)	C[6](S[6]C[6,6a])(C[6]S[6]S)(SPt){1|C<3>,1|N<2>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S){1|C<3>,1|N<2>,2|S<2>}	C[6](S[6]C[6,6a])(C[6]S[6]S)(SPt){1|C<3>,1|N<2>}	123.1810	0.674	4	123.1810	0.455	4	122.5316	0.672	14	122.6128	0.669	16	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:2:	3:3:	2:3:4:	S[6]-2:C[6]-3:N-2:	C[5a,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N)	C[6](N[6]N[5a,6])(C[6]S[6]N)(CH3)	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN){1|N<2>,1|N<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N){1|C<3>,1|C<4>,2|N<2>}	C[6](N[6]N[5a,6])(C[6]S[6]N)(CH3){2|C<3>}	123.2510	0.865	2	123.2510	0.749	2	123.2510	0.749	2	123.2510	0.749	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:2:	3:3:	3:3:2:	S[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO)	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO){2|C<3>}	121.6390	0.000	1	121.6390	0.000	1	121.6390	0.000	1	121.6390	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:2:	4:3:	2:3:2:	S[6]-2:C[6]-3:S-2:	C[6,6]-4:C[6]-3:	S[6]-2:C[6]-3:S-2:	C[6](S[6]C[6,6])(C[6]S[6]S)(SNi)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)	C[6](S[6]C[6,6])(C[6]S[6]S)(SNi)	C[6](S[6]C[6,6])(C[6]S[6]S)(SNi){1|H<1>,2|C<4>}	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S){2|C<4>,2|S<2>,3|H<1>}	C[6](S[6]C[6,6])(C[6]S[6]S)(SNi){1|H<1>,2|C<4>}	126.5700	0.467	2	126.5700	0.218	2	126.5700	0.218	2	126.5700	0.218	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:3:	3:3:	2:3:2:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	N[6]-2:C[6]-3:O-2:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](N[6]C[6,6a])(C[6]S[6]C)(OC)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a])(C[6]S[6]C)(OC){2|C<3>}	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:3:	3:3:	3:3:1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H)	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H){2|C<3>}	121.9860	0.000	1	121.9860	0.000	1	121.9860	0.000	1	118.7751	3.783	16	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:3:	3:3:	3:3:1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:O-1:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	118.5611	1.808	15	118.5611	3.267	15	118.5611	3.267	15	118.7751	3.783	16	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:3:	3:3:	3:3:4:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){2|C<3>}	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:3:	4:3:	3:3:2:	S[6]-2:C[6]-3:N-3:	C[4,6]-4:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H)	S[6](C[4,6]C[4]2N[6])(C[6]C[6]N)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H){1|N<3>,1|O<1>,2|C<4>}	S[6](C[4,6]C[4]2N[6])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:3:	6:3:	2:3:1:	S[6]-2:C[6]-3:C-3:	C[5x3,5x5,21x6]-6:C[6]-3:	S[6]-2:C[6]-3:H-1:	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O)	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H)	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O){1|C<6>,4|B<6>}	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C){1|S<2>,5|B<6>,5|H<1>}	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H){1|C<6>,4|B<6>}	126.8400	0.000	2	126.8400	0.000	2	126.8400	0.000	2	126.8400	0.000	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	2:3:4:	3:3:	2:3:1:	S[6]-2:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:	S[6]-2:C[6]-3:H-1:	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH)	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[6](S[6]C[5a,6])(C[6]S[6]C)(H)	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH){2|C<3>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|H<1>,2|S<2>}	C[6](S[6]C[5a,6])(C[6]S[6]C)(H){2|C<3>}	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:2:	3:2:1:	C[6]-3:S[6]-2:H-1:	C[6]-3:S[6]-2:	C[6]-3:S[6]-2:H-1:	C[6](C[6]S[6]H)(S[6]S[6])(H)	S[6](C[6]C[6]H)(S[6]C[6])	C[6](C[6]S[6]H)(S[6]C[6])(H)	C[6](C[6]S[6]H)(S[6]S[6])(H){1|C<4>}	S[6](C[6]C[6]H)(S[6]C[6]){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]H)(S[6]C[6])(H){1|C<4>,1|H<1>,1|S<2>}	125.6850	0.000	1	125.6850	0.000	1	125.6850	0.000	1	125.6850	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	3:2:3:	C[6]-3:S[6]-2:H-1:	C[5,6]-3:C[6]-3:	C[6a]-3:S[6]-2:C[6]-3:	C[6](C[6]C[6a]S[6])(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H)	C[6](C[6]C[6a]S[6])(S[6]C[5,6])(H){1|N<2>,1|S<2>,2|C<3>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){2|C<3>,2|S<2>}	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H){1|H<1>,1|S<2>,3|C<3>}	124.6680	0.000	1	124.6680	0.000	1	124.6680	0.000	1	124.6680	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]S)(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]S[6]H)(H){1|C<3>,1|O<2>}	123.5887	0.346	3	124.0320	0.866	4	124.5722	1.388	6	124.5722	1.388	6	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]S)(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(S[6]C[6])(H){1|S<2>,2|C<3>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]S[6]H)(H){1|C<3>,1|O<2>}	125.3620	0.000	1	124.0320	0.866	4	124.5722	1.388	6	124.5722	1.388	6	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(S[6]C[6])(H){1|H<1>,2|C<3>}	S[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	125.6525	0.917	2	125.6525	0.841	2	124.5722	1.388	6	124.5722	1.388	6	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:	C[6](C[6]C[6a]S[6])(S[6]C[6])(H)	S[6](C[6]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6])	C[6](C[6]C[6a]S[6])(S[6]C[6])(H){1|H<1>,3|C<3>}	S[6](C[6]C[6]H)2{1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H){1|C<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H){2|H<1>,4|C<3>}	124.9655	0.978	2	124.9655	0.956	2	124.9655	0.956	2	124.9655	0.956	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(S[6]C[6,6a])(H)	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3)	C[6](C[6]C[6,6a]C)(S[6]C[6,6a])(H){3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3){1|H<1>,3|C<3>}	126.4700	0.000	1	126.4700	0.000	1	126.4700	0.000	1	123.5565	16.977	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]C)(S[6]C[6])(S)	S[6](C[6]C[5a,6]H)(C[6]C[6]S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3)	C[6](C[6]C[5a,6]C)(S[6]C[6])(S){1|H<1>,2|C<3>}	S[6](C[6]C[5a,6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3){1|N<3>,3|C<3>}	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	123.5565	16.977	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	3:3:	4:3:1:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	S[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]Si)(C[6]C[6]H)	C[6](S[6]C[6]OO)(C[6]S[6]H)(H)	C[6](C[6]S[6]H)(S[6]C[6])(H){1|Si<4>,1|C<3>,2|O<1>}	S[6](C[6]C[6]Si)(C[6]C[6]H){1|S<4>,2|H<1>}	C[6](S[6]C[6]OO)(C[6]S[6]H)(H){1|C<3>,1|H<1>}	128.6970	0.177	2	128.6970	0.031	2	128.6970	0.031	2	128.6970	0.031	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	4:3:	3:2:1:	C[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[6](C[6]S[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]S[6]H)(C[6]C[6]H)	C[6](C[6]S[6]H)(S[6]S[6])(H)	C[6](C[6]S[6]H)(S[6]C[6])(H){1|C<4>,1|H<1>,1|S<2>}	S[6](C[6]C[6]S[6]H)(C[6]C[6]H){2|H<1>,3|S<2>}	C[6](C[6]S[6]H)(S[6]S[6])(H){1|C<4>}	132.4530	0.000	1	132.4530	0.000	1	132.4530	0.000	1	132.4530	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	4:3:	3:3:3:	C[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5a,6]C[6a])(S[6]C[6])(H)	S[6](C[6]C[5a,6]HH)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H)	C[6](C[6]N[5a,6]C[6a])(S[6]C[6])(H){2|H<1>,4|C<3>}	S[6](C[6]C[5a,6]HH)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	124.7990	0.000	1	124.7990	0.000	1	124.7990	0.000	1	124.7990	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:1:	4:3:	3:3:4:	C[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(S[6]C[6])(H)	S[6](C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(S[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>}	123.2430	0.000	1	123.2430	0.000	1	123.2430	0.000	1	123.2430	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	3:3:	3:2:2:	C[6]-3:S[6]-2:S-2:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	S[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	C[6](C[6]S[6]S)(S[6]C[6])(SNi){2|C<3>}	S[6](C[6]C[6]C)(C[6]C[6]S){1|C<3>,2|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SNi){2|C<3>}	121.6965	0.730	2	121.6965	0.534	2	121.6965	0.534	2	121.6965	0.534	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	3:3:	3:2:3:	C[6]-3:S[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-3:	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]S[6]N)	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(NC[6a]){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]S[6]N){2|H<1>,4|C<3>}	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[5,6]C)(C[6]C[6]N)	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H)	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|C<4>}	S[6](C[6]C[5,6]C)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	118.2700	0.404	2	118.2700	0.164	2	118.4622	0.115	4	118.4622	0.115	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[5,6]H)(C[6]C[6]N)	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H)	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	S[6](C[6]C[5,6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	118.6545	0.182	2	118.6545	0.033	2	118.4622	0.115	4	118.4622	0.115	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	3:3:	4:3:3:	C[6]-3:S[6]-2:S-2:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]C[6]N)(C[6]C[6]S)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O)	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|H<1>,1|N<3>,2|C<3>}	S[6](C[6]C[6]N)(C[6]C[6]S){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O){1|C<2>,1|S<2>,2|C<3>}	123.7480	0.000	1	123.7480	0.000	1	123.7480	0.000	1	123.7480	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:N-2:	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a])	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a]){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]N){1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a]){1|C<4>,2|H<1>}	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)(S[6]C[6])(SAu)	S[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]S[6]S)(S[6]C[6])(SAu)	C[6](C[6]S[6]S)(S[6]C[6])(SAu){1|H<1>,2|C<4>}	S[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SAu){1|H<1>,2|C<4>}	126.3654	2.198	12	126.3654	4.830	12	126.0961	3.799	46	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]S)(S[6]C[6])(SSn)	C[6](C[6]S[6]S)(S[6]C[6])(SC){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SSn){1|C<4>,2|H<1>}	128.0795	0.749	2	128.0795	0.561	2	126.0961	3.799	46	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	S[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	C[6](C[6]S[6]S)(S[6]C[6])(SNi){1|H<1>,2|C<4>}	S[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SNi){1|H<1>,2|C<4>}	126.5496	1.034	12	126.5496	1.069	12	126.0961	3.799	46	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	C[6](C[6]S[6]S)(S[6]C[6])(SNi){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SNi){1|C<4>,2|H<1>}	125.8249	2.206	10	125.8249	4.866	10	126.0961	3.799	46	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)(S[6]C[6])(SPd)	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]S)(S[6]C[6])(SPd)	C[6](C[6]S[6]S)(S[6]C[6])(SPd){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SPd){1|C<4>,2|H<1>}	126.2010	1.471	4	126.2010	2.164	4	126.0961	3.799	46	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)(S[6]C[6])(SPt)	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]S)(S[6]C[6])(SPt)	C[6](C[6]S[6]S)(S[6]C[6])(SPt){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SPt){1|C<4>,2|H<1>}	123.2400	1.796	4	123.2400	3.224	4	126.0961	3.799	46	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)(S[6]C[6])(SSn)	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]S)(S[6]C[6])(SC)	C[6](C[6]S[6]S)(S[6]C[6])(SSn){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SC){1|C<4>,2|H<1>}	126.6345	0.605	2	126.6345	0.366	2	126.0961	3.799	46	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:2:2:	C[6]-3:S[6]-2:Se-2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:Se-2:	C[6](C[6]S[6]Se)(S[6]C[6])(SeNi)	S[6](C[6]C[6]HH)(C[6]C[6]Se)	C[6](C[6]S[6]Se)(S[6]C[6])(SeNi)	C[6](C[6]S[6]Se)(S[6]C[6])(SeNi){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]Se){1|Se<2>,1|S<2>,2|H<1>}	C[6](C[6]S[6]Se)(S[6]C[6])(SeNi){1|C<4>,2|H<1>}	126.2320	1.517	8	126.2320	2.302	8	126.2320	2.302	8	125.9828	4.446	55	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:3:1:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(S[6]C[6])(SC)	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S)	C[6](C[6]S[6]S)2(H)	C[6](C[6]C[6]H)(S[6]C[6])(SC){1|C<3>,1|O<2>,2|S<2>}	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S){1|H<1>,3|C<3>}	C[6](C[6]S[6]S)2(H){1|C<4>}	125.7880	0.000	1	125.7880	0.000	1	124.6480	2.599	2	124.6480	2.599	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:3:1:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(S[6]C[6])(SCr)	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S)	C[6](C[6]S[6]S)2(H)	C[6](C[6]C[6]H)(S[6]C[6])(SCr){1|C<3>,1|O<2>,2|S<2>}	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S){1|H<1>,3|C<3>}	C[6](C[6]S[6]S)2(H){1|C<4>}	123.5080	0.000	1	123.5080	0.000	1	124.6480	2.599	2	124.6480	2.599	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	3:3:2:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[5a]C[5a]S[5a])(C[6]S[6]S)(O[6]C[6])	C[6](C[6]C[5a]O[6])(S[6]C[6])(SC){1|S<2>,2|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]S){1|O<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]S[6]S)(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	4:3:3:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]C[6]CC)(C[6]C[6]S)	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O)	C[6](C[6]C[6]C)(S[6]C[6])(SC){2|H<1>,3|C<4>}	S[6](C[6]C[6]CC)(C[6]C[6]S){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<4>,2|H<1>}	125.7510	0.000	1	125.7510	0.000	1	125.7470	0.000	2	125.7470	0.000	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:2:	4:3:	4:3:3:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]N[6]HH)(C[6]C[6]S)	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O)	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|N<3>,4|H<1>}	S[6](C[6]N[6]HH)(C[6]C[6]S){1|C<4>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<3>,1|C<4>}	125.7430	0.000	1	125.7430	0.000	1	125.7470	0.000	2	125.7470	0.000	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:2:1:	C[6a]-3:S[6]-2:C[6]-3:	C[5,6]-3:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])	C[6](C[6]C[6a]S[6])(S[6]C[5,6])(H)	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H){1|H<1>,1|S<2>,3|C<3>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6](C[6]C[6a]S[6])(S[6]C[5,6])(H){1|N<2>,1|S<2>,2|C<3>}	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:2:3:	C[6]-3:S[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[5a]-3:N[6]-2:C[6]-3:	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C){1|H<1>,4|C<3>}	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	120.0048	9.777	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:2:3:	C[6]-3:S[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-3:	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]C)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH){1|N<2>,1|N<3>,2|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]C){2|H<1>,4|C<3>}	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	120.0048	9.777	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:2:3:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-3:	C[6](C[6]S[6]C)(S[6]C[6])(COO)	S[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]S[6]C)(S[6]C[6])(COO)	C[6](C[6]S[6]C)(S[6]C[6])(COO){1|C<3>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]S){1|C<3>,2|S<2>}	C[6](C[6]S[6]C)(S[6]C[6])(COO){1|C<3>,1|S<2>}	121.6605	0.252	2	121.6605	0.064	2	121.6605	0.064	2	120.0048	9.777	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:2:4:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CNO)	S[6](C[6]C[6]C)2	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C[6](C[6]S[6]C)(S[6]C[6])(CNO){2|C<3>}	S[6](C[6]C[6]C)2{1|S<2>,2|C<4>}	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|C<4>}	121.0993	0.725	6	121.0993	0.525	6	121.0993	0.525	6	121.0993	0.525	6	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6a]-3:S[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6](C[6]C[6a]S[6])(C[6]C[6,6a]N)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6,6a]N)(H){4|C<3>}	123.7350	0.000	1	123.7350	0.000	1	123.7350	0.000	1	123.7350	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:3:2:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(S[6]C[6])(CHO)	S[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu)	C[6](C[6]C[6]O)(S[6]C[6])(CHO){1|C<3>,1|H<1>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu){1|C<3>,1|H<1>}	125.6300	0.000	1	125.6300	0.000	1	124.5795	2.207	2	124.5795	2.207	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:3:2:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(S[6]C[6])(COO)	S[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]S)(C[6]S[6]C)(OH)	C[6](C[6]C[6]O)(S[6]C[6])(COO){1|C<3>,1|N<3>,1|S<1>}	S[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(OH){1|C<3>,1|N<3>}	123.5290	0.000	1	123.5290	0.000	1	124.5795	2.207	2	124.5795	2.207	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	3:3:3:	C[6]-3:S[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H)	S[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H){1|S<1>,2|C<3>}	S[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	122.9630	0.000	1	122.9630	0.000	1	122.9630	0.000	1	122.9630	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	4:3:2:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	P-4:C[6]-3:S[6]-2:	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P)	S[6](C[6]C[6]C)2	C[6](PC[6a]2Mo)(C[6]S[6]C)(S[6]C[6])	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P){1|C<3>,1|C<4>}	S[6](C[6]C[6]C)2{1|C<4>,1|P<4>,1|S<2>}	C[6](PC[6a]2Mo)(C[6]S[6]C)(S[6]C[6]){1|C<3>,1|C<4>}	118.6230	0.789	2	118.6230	0.623	2	118.6230	0.623	2	119.7633	4.212	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	3:3:	4:3:2:	C[6]-3:S[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	S[6](C[6]C[6]N)(C[6]C[6]S)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN)	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|H<1>,1|S<2>,2|C<3>}	S[6](C[6]C[6]N)(C[6]C[6]S){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN){1|S<2>,3|C<3>}	122.0440	0.000	1	122.0440	0.000	1	122.0440	0.000	1	119.7633	4.212	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	4:3:	3:2:4:	C[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6]O[6]C)(S[6]C[6])(CNO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	C[6](C[6]O[6]C)(S[6]C[6])(CNO){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>}	124.9237	0.394	3	124.9237	0.155	3	124.9237	0.155	3	124.9237	0.155	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	4:3:	3:3:2:	C[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(S[6]C[6])(NCH)	S[6](C[6]N[6]CC)(C[6]C[6]N)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	C[6](C[6]C[6]C)(S[6]C[6])(NCH){1|N<3>,1|O<1>,2|C<4>}	S[6](C[6]N[6]CC)(C[6]C[6]N){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	4:3:	4:3:2:	C[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	S[6](C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN)	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN){1|C<4>,2|H<1>}	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:3:	4:3:	4:3:3:	C[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(S[6]C[6])(COO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO)	C[6](C[6]C[6]C)(S[6]C[6])(COO){1|C<4>,1|N<3>,3|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	126.0310	0.000	1	126.0310	0.000	1	126.0310	0.000	1	126.0310	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	3:3:	3:2:3:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-3:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)2	C[6](C[6]S[6]C)(S[6]C[6])(CNO)	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|C<4>}	S[6](C[6]C[6]C)2{1|S<2>,2|C<3>}	C[6](C[6]S[6]C)(S[6]C[6])(CNO){2|C<3>}	121.0148	0.767	6	121.0148	0.588	6	121.0148	0.588	6	121.0148	0.588	6	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	3:3:	3:2:4:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|P<4>}	S[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]S[6]C)(S[6]C[6])(CH3){2|C<3>}	119.9515	0.008	2	119.9515	0.000	2	119.7643	0.118	4	119.7643	0.118	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	3:3:	3:2:4:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)2	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C[6](C[6]S[6]C)(S[6]C[6])(CH3){2|C<3>}	S[6](C[6]C[6]C)2{1|C<4>,1|P<4>,1|S<2>}	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|P<4>}	119.5770	0.464	2	119.5770	0.215	2	119.7643	0.118	4	119.7643	0.118	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	3:3:	3:3:2:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu)	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu){1|C<3>,1|H<1>}	125.1860	0.000	1	125.1860	0.000	1	124.6213	0.247	3	124.6213	0.247	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	3:3:	3:3:2:	C[6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]S)(C[6]S[6]C)(OZn)	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(OZn){1|C<3>,1|H<1>}	124.3390	0.124	2	124.3390	0.015	2	124.6213	0.247	3	124.6213	0.247	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	3:3:	4:3:1:	C[6]-3:S[6]-2:Si-4:	C[6]-3:C[6]-3:	S[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]H)(S[6]C[6])(SiC3)	S[6](C[6]C[6]Si)(C[6]C[6]H)	C[6](S[6]C[6]OO)(C[6]S[6]Si)(H)	C[6](C[6]S[6]H)(S[6]C[6])(SiC3){1|C<3>,1|H<1>,2|O<1>}	S[6](C[6]C[6]Si)(C[6]C[6]H){1|S<4>,2|H<1>}	C[6](S[6]C[6]OO)(C[6]S[6]Si)(H){1|C<3>,1|H<1>}	123.8190	0.059	2	123.8190	0.004	2	123.8190	0.004	2	123.8190	0.004	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	4:3:	3:2:4:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]C)(S[6]C[6])(CHHO)	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]C)(S[6]C[6])(CHHO){1|C<4>,2|H<1>}	124.1290	0.000	1	124.1290	0.000	1	125.4960	3.737	2	125.4960	3.737	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	4:3:	3:2:4:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CHHO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO)	C[6](C[6]S[6]C)(S[6]C[6])(CHHO){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO){1|C<4>,2|H<1>}	126.8630	0.000	1	126.8630	0.000	1	125.4960	3.737	2	125.4960	3.737	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	4:3:	3:3:1:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(S[6]C[6])(CCCO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](C[6]C[6]H)(S[6]C[6])(CCCO){1|C<4>,1|O<1>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)(C[6]S[6]C)(H){1|H<1>,2|C<4>}	123.7590	0.000	1	123.7590	0.000	1	123.7590	0.000	1	123.7590	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:2:4:	4:3:	3:3:4:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH)	S[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH)	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	122.6780	0.000	1	122.6780	0.000	1	122.6780	0.000	1	122.6780	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2	C[6](C[6]C[6a]S[6])(S[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6])(S[6]C[6])(H){1|H<1>,3|C<3>}	118.0280	0.000	1	118.0280	0.000	1	118.0280	0.000	1	118.0280	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]C[6]){1|S<1>,2|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	121.4080	1.662	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]N[6]S)	C[6](C[6]C[6a]N[6])(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	S[6](C[6]C[6a]C[6])(C[6]N[6]S){1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6a]S[6])(H){5|C<3>}	120.7310	0.000	1	120.7310	0.000	1	121.9010	1.035	3	121.4080	1.662	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){2|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	122.4860	0.132	2	122.4860	0.017	2	121.9010	1.035	3	121.4080	1.662	4	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:S[6]-2:	C[5,6]-3:C[6]-3:	C[6]-3:C[6a]-3:S[6]-2:	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6])	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6]){1|S<2>,2|H<1>,5|C<3>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6]){2|S<2>,4|C<3>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6]){1|S<2>,2|H<1>,5|C<3>}	121.5270	1.442	4	121.5270	2.079	4	121.5270	2.079	4	121.3992	1.398	6	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:S[6]-2:	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6])	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6]){1|S<2>,2|H<1>,5|C<3>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]){2|S<2>,4|C<3>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6]){1|S<2>,2|H<1>,5|C<3>}	121.1435	0.746	2	121.1435	0.557	2	121.1435	0.557	2	121.3992	1.398	6	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6]){2|H<1>,7|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.8010	1.195	3	122.8010	1.428	3	122.8010	1.428	3	122.8010	1.428	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	4:3:1:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6])2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	123.7963	0.834	6	123.7963	0.695	6	123.7963	0.695	6	123.7963	0.695	6	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	4:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S){2|C<4>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]S[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	122.6760	0.000	1	122.6760	0.000	1	122.6760	0.000	1	122.6760	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:3:	4:3:4:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	S[6](C[6]C[6a]C[6])2	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6])2{3|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3){1|C<4>,5|C<3>}	120.1275	0.040	2	120.1275	0.002	2	120.1275	0.002	2	120.1275	0.002	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:4:	3:3:2:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	S[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	123.9907	0.730	3	123.9907	0.533	3	123.9907	0.533	3	123.9907	0.533	3	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:4:	3:3:3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	S[6](C[6]C[6a]C[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:4:	4:3:1:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	S[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]S[6])(H){3|C<4>,4|C<3>}	124.4580	0.290	2	124.4580	0.084	2	124.4580	0.084	2	124.4580	0.084	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	3:4:	4:3:3:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6]-4:	C[4,6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]N[4,6]CC)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]N[4,6]CC){1|C<4>,4|C<3>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6a]S[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	125.4790	0.000	1	125.4790	0.000	1	125.4790	0.000	1	125.4790	0.000	1	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	4:3:	3:3:1:	C[6]-3:C[6a]-3:S[6]-2:	C[6]-4:C[6]-3:	C[5a,6]-3:C[6]-3:I-1:	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I)	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	S[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6]){1|I<1>,1|N<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I){2|C<3>,2|C<4>,2|N<2>}	122.5550	0.000	1	122.5550	0.000	1	122.5550	0.000	1	121.8155	1.094	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:3:2:	4:3:	3:3:1:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H){1|C<4>,1|H<1>,4|C<3>}	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	121.8155	1.094	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	3:4:2:	3:3:	3:4:2:	C[6]-3:C[5]-4:S[6]-2:	C[5,6]-3:C[6]-3:	C[6]-3:C[5]-4:S[6]-2:	C[6](C[6]C[5]S[6])(C[5]C[5]2Fe)(S[6]C[5,6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[5]C[6])	C[6](C[6]C[5]S[6])(C[5]C[5]2Fe)(S[6]C[5,6])	C[6](C[6]C[5]S[6])(C[5]C[5]2Fe)(S[6]C[5,6]){1|Fe<10>,1|C<3>,1|S<2>,2|H<1>,4|C<4>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[5]C[6]){1|Fe<10>,1|C<3>,2|S<2>,3|C<4>}	C[6](C[6]C[5]S[6])(C[5]C[5]2Fe)(S[6]C[5,6]){1|Fe<10>,1|C<3>,1|S<2>,2|H<1>,4|C<4>}	121.4205	1.677	2	121.4205	2.811	2	121.4205	2.811	2	121.4205	2.811	2	123.4471	10.258	225	123.4049	10.315	236
762	286	762	6:SP2_SP2_SP2	C[6]	S[6]	C[6]	4:3:2:	3:3:	3:2:3:	P-4:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-3:	C[6](PC[6a]2Mo)(C[6]S[6]C)(S[6]C[6])	S[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P)	C[6](PC[6a]2Mo)(C[6]S[6]C)(S[6]C[6]){1|C<3>,1|C<4>}	S[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P){1|C<3>,1|C<4>}	120.1290	0.351	2	120.1290	0.123	2	120.1290	0.123	2	120.1290	0.123	2	123.4471	10.258	225	123.4049	10.315	236
762	286	790	0:SP2_SP-NON_SP2	C[6]	S[6]	Cl	4:2:1:	4:3:	3:	C[6]-4:S[6]-2:Cl-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]S[6]Cl2)(S[6]C[5,6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl)	Cl(C[6]C[6]S[6])	C[6](C[6]S[6]Cl2)(S[6]C[5,6])(Cl){1|Cl<1>,1|C<4>,1|S<2>}	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl){3|Cl<1>,1|C<3>,2|S<2>}	Cl(C[6]C[6]S[6])	104.3600	0.000	1	104.3600	0.000	1	104.3600	0.000	1	104.3600	0.000	1	104.3600	0.000	1	104.3600	0.000	1
762	286	813	6:SP2_SP2_SP2	C[6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:S[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC){1|N<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N){1|H<1>,4|C<3>}	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.3497	0.010	3	118.3497	0.010	3
762	286	813	6:SP2_SP2_SP2	C[6]	S[6]	N[5a,6]	3:2:3:	3:3:	3:2:3:	N[5a,6]-3:S[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C){1|H<1>,1|N<3>,2|C<3>}	118.4010	0.065	2	118.4010	0.004	2	118.4010	0.004	2	118.4010	0.004	2	118.3497	0.010	3	118.3497	0.010	3
762	286	818	0:SP2_SP2_SP2	C[6]	S[6]	C[5]	2:4:3:	3:3:	3:4:3:	S[6]-2:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[5]-4:C[5]-3:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	120.7230	0.000	1	120.7230	0.000	1	120.8920	0.057	2	120.8920	0.057	2	118.2204	2.612	27	118.2204	2.612	27
762	286	818	0:SP2_SP2_SP2	C[6]	S[6]	C[5]	2:4:3:	3:3:	3:4:3:	S[6]-2:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[5]-4:C[5]-3:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	121.0610	0.000	1	121.0610	0.000	1	120.8920	0.057	2	120.8920	0.057	2	118.2204	2.612	27	118.2204	2.612	27
762	286	818	0:SP2_SP2_SP2	C[6]	S[6]	C[5]	3:2:2:	3:4:	2:2:3:	C[5]-3:S[6]-2:S[6]-2:	C[6]-3:C[6]-4:	S[5]-2:S[5]-2:C[6]-3:	C[6](C[5]S[5]2)(S[6]C[6])2	S[6](C[6]C[5]S[6])(C[6]C[6]HH)	C[5](S[5]C[5,5a])2(C[6]S[6]2)	C[6](C[5]S[5]2)(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	S[6](C[6]C[5]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	C[5](S[5]C[5,5a])2(C[6]S[6]2){2|C<4>,2|S<2>}	118.0426	1.499	24	118.0426	2.246	24	118.0426	2.246	24	118.0426	2.246	24	118.2204	2.612	27	118.2204	2.612	27
762	286	818	0:SP2_SP2_SP2	C[6]	S[6]	C[5]	4:3:2:	3:4:	3:4:3:	C[6]-4:C[5]-3:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[5]-4:C[5]-3:	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6])	S[6](C[6]C[5]C[6])(C[6]C[6]HH)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	S[6](C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	118.2204	2.612	27	118.2204	2.612	27
762	286	818	6:SP2_SP2_SP2	C[6]	S[6]	C[5,6]	3:2:1:	3:3:	3:4:3:	C[5,6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H)	S[6](C[6]C[5,6]H)(C[6]C[6]N)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	S[6](C[6]C[5,6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H){3|C<3>,3|H<1>}	124.2920	0.174	2	124.2920	0.030	2	124.2920	0.030	2	124.2920	0.030	2	123.4220	1.571	4	123.4220	1.571	4
762	286	818	6:SP2_SP2_SP2	C[6]	S[6]	C[5,6]	3:2:4:	3:3:	3:4:3:	C[5,6]-3:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3)	S[6](C[6]C[5,6]C)(C[6]C[6]N)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	S[6](C[6]C[5,6]C)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C){3|C<3>,3|H<1>}	121.6420	0.000	1	121.6420	0.000	1	121.6420	0.000	1	121.6420	0.000	1	123.4220	1.571	4	123.4220	1.571	4
762	286	818	6:SP2_SP2_SP2	C[6]	S[6]	C[5,6]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6])	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a]){1|C<4>,1|H<1>,7|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6]){1|H<1>,1|O<1>,6|C<3>}	123.4620	0.000	1	123.4620	0.000	1	123.4620	0.000	1	123.4620	0.000	1	123.4220	1.571	4	123.4220	1.571	4
762	286	849	6:SP2_SP2_SP3	C[6,6]	S[6]	P[6,6]	4:3:2:	3:4:	3:3:4:4:	P[6,6]-4:N[6]-3:S[6]-2:	C[6,6]-3:B[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6])	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6])	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6]){2|C<4>,4|H<1>,8|C<3>}	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,3|C<3>,4|H<1>}	115.3490	0.000	1	115.3490	0.000	1	115.3490	0.000	1	115.3490	0.000	1	115.3490	0.000	1	111.9167	10.372	3
762	286	849	6:SP2_SP2_SP3	C[6]	S[6]	P[6]	4:4:2:	3:3:	3:3:3:2:	P[6]-4:P-4:S[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-2:	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6])	S[6](C[6]P[6]P)2	P[6](C[6a]C[6a]2)2(C[6]S[6]P)(S[6]P[6])	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6]){2|P<4>,4|C<3>}	S[6](C[6]P[6]P)2{1|S<2>,4|C<3>}	P[6](C[6a]C[6a]2)2(C[6]S[6]P)(S[6]P[6]){4|H<1>,7|C<3>}	110.2005	1.753	2	110.2005	3.073	2	110.2005	3.073	2	110.2005	3.073	2	110.2005	3.073	2	111.9167	10.372	3
762	286	856	0:SP2_SP2_SP2	C[6,6]	S[6]	N[6]	4:3:2:	3:4:	3:4:3:	P[6,6]-4:N[6]-3:S[6]-2:	C[6,6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6a]-3:	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6])	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6])	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6]){2|C<4>,4|H<1>,8|C<3>}	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2){1|B<4>,2|C<4>,4|H<1>,7|C<3>}	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1
762	286	856	6:SP2_SP2_SP2	C[6,6]	S[6]	N[6,6]	3:2:2:	3:3:	3:3:4:	N[6,6]-3:S[6]-2:N[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6])	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]){1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	120.3650	0.096	2	120.3650	0.009	2	120.3650	0.009	2	120.3650	0.009	2	120.1050	10.990	4	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6,6]	S[6]	N[6,6]	3:3:2:	3:3:	3:3:3:	N[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6])	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a])	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	123.8880	0.000	1	123.8880	0.000	1	123.8880	0.000	1	123.8880	0.000	1	120.1050	10.990	4	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6,6]	S[6]	N[6,6]	3:3:2:	3:4:	3:4:3:	N[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6])	S[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	S[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	120.1050	10.990	4	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6,6]	3:2:1:	3:3:	4:4:3:	N[6,6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S){1|C<4>,3|C<3>,3|H<1>}	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S){2|C<4>,3|C<3>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>,3|C<3>}	121.0730	0.000	1	121.0730	0.000	1	121.0730	0.000	1	121.0730	0.000	1	121.0730	0.000	1	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:3:1:	3:3:	4:3:4:	S[6]-2:N[6]-3:S-1:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](S[6]C[6,6a])(N[6]C[6]C)(S)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH)	C[6](S[6]C[6,6a])(N[6]C[6]C)(S){2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH){2|C<3>}	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:3:2:	3:3:	4:3:4:	S[6]-2:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:	S[6]-4:C[6]-3:C-4:	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	118.4140	0.491	2	118.4140	0.241	2	118.4140	0.241	2	118.4140	0.241	2	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:3:2:	4:3:	4:3:1:	S[6]-2:N[6]-3:N-2:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](S[6]C[6,6])(N[6]C[6]H)(NC)	S[6](C[6,6]C[6]3)(C[6]N[6]N)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC){2|H<1>,3|C<4>}	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,7|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	122.7800	0.000	1	122.7800	0.000	1	120.8672	1.714	4	120.8672	1.714	4	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:3:2:	4:3:	4:3:1:	S[6]-2:N[6]-3:N-2:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a])	S[6](C[6,6]C[6]3)(C[6]N[6]N)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,7|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	120.2297	0.364	3	120.2297	0.132	3	120.8672	1.714	4	120.8672	1.714	4	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:3:3:	3:3:	4:3:4:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6]-3:S-4:	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH){1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO){4|C<3>}	118.8850	0.000	1	118.8850	0.000	1	118.8850	0.000	1	117.5760	1.470	3	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:3:3:	3:3:	4:3:4:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:	S[6]-4:C[6]-3:C-4:	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	116.9215	0.609	2	116.9215	0.371	2	116.9215	0.371	2	117.5760	1.470	3	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:1:	3:3:	3:3:1:	N[6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(S[6]C[6])(S)	S[6](C[6]C[6,6a]S)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H)	C[6](N[6]C[6,6a]H)(S[6]C[6])(S){1|S<1>,2|C<3>}	S[6](C[6]C[6,6a]S)(C[6]N[6]S){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H){1|H<1>,3|C<3>}	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:1:	4:3:	3:3:4:	N[6]-3:S[6]-2:O-1:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]C)(S[6]C[6])(O)	S[6](C[6]C[6]CH)(C[6]N[6]O)	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH)	C[6](N[6]C[6]C)(S[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	S[6](C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH){1|C<4>,2|H<1>}	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:1:	4:3:	3:4:3:	N[6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(S[6]C[6])(S)	S[6](C[6]N[6]HH)(C[6]N[6]S)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S)	C[6](N[6]C[6a]C[6])(S[6]C[6])(S){1|N<3>,2|C<3>,4|H<1>}	S[6](C[6]N[6]HH)(C[6]N[6]S){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S){2|C<3>,4|C<4>}	120.6190	0.000	1	120.6190	0.000	1	120.6190	0.000	1	120.6190	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:1:	4:3:	4:3:3:	N[6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:N-3:	C[6](N[6]C[6]N)(S[6]C[6])(S)	S[6](C[6]C[6]HH)(C[6]N[6]S)	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH)	C[6](N[6]C[6]N)(S[6]C[6])(S){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]S){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH){1|C<4>,2|H<1>}	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:1:	4:3:	4:3:4:	N[6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(S[6]C[6])(S)	S[6](C[6]C[6]HH)(C[6]N[6]S)	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH)	C[6](N[6]C[6]C)(S[6]C[6])(S){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]S){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH){1|C<4>,2|H<1>}	122.3223	0.422	3	122.3223	0.178	3	121.9772	0.595	4	121.9772	0.595	4	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:1:	4:3:	4:3:4:	N[6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(S[6]C[6])(S)	S[6](C[6]N[6]HH)(C[6]N[6]S)	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH)	C[6](N[6]C[6]C)(S[6]C[6])(S){1|N<3>,4|H<1>}	S[6](C[6]N[6]HH)(C[6]N[6]S){3|C<4>}	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH){2|C<4>}	120.9420	0.000	1	120.9420	0.000	1	121.9772	0.595	4	121.9772	0.595	4	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	3:3:	3:3:1:	N[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC)	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H)	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC){1|N<2>,2|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]N){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H){3|C<3>}	119.7300	0.000	1	119.7300	0.000	1	119.7300	0.000	1	119.7300	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	3:3:	4:3:3:	N[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	S[6](C[6]C[6]C)(C[6]N[6]N)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N){4|H<1>,5|C<3>}	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	4:3:	3:2:1:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]N[6]H)(S[6]C[6])(NC)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NC){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	117.5880	0.000	1	117.5880	0.000	1	118.7694	1.984	5	118.7694	1.984	5	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	4:3:	3:2:1:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	117.1540	0.000	1	117.1540	0.000	1	118.7694	1.984	5	118.7694	1.984	5	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	4:3:	3:2:1:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]N[6]H)(S[6]C[6])(NN)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	119.7017	0.813	3	119.7017	0.661	3	118.7694	1.984	5	118.7694	1.984	5	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	4:3:	3:3:1:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]C[6]O)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]){1|C<4>,1|O<1>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	4:3:	3:3:3:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N){1|C<4>,2|C<3>,4|H<1>}	118.8797	0.569	3	118.8797	0.324	3	118.8797	0.324	3	118.8797	0.324	3	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	4:3:	4:3:1:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(NC)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:3:	4:3:	3:3:1:	N[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(CCH)	S[6](C[6]C[6]HH)(C[6]N[6]C)	N[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CCH){1|C<4>,1|O<1>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]C){1|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]C)(H){1|C<4>,2|H<1>}	119.6330	0.014	2	119.6330	0.000	2	119.6330	0.000	2	119.6330	0.000	2	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:3:	4:3:	4:3:1:	N[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	124.2143	0.393	3	124.2143	0.155	3	124.0407	0.264	6	124.0407	0.264	6	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:3:	4:3:	4:3:1:	N[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(NHH)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	123.8670	0.643	3	123.8670	0.414	3	124.0407	0.264	6	124.0407	0.264	6	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:3:	4:3:	4:3:3:	N[6]-3:S[6]-2:N-3:	Ga[6]-4:C[6]-3:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC)	S[6](Ga[6]C[6]CC)(C[6]N[6]N)	N[6](Ge[6]C[6]CN)(C[6a]C[6a]2)(C[6]S[6]N)	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC){1|C<2>,1|N<3>,2|C<4>,3|C<3>}	S[6](Ga[6]C[6]CC)(C[6]N[6]N){1|Ge<4>,2|C<3>}	N[6](Ge[6]C[6]CN)(C[6a]C[6a]2)(C[6]S[6]N){1|Ga<4>,2|H<1>,3|C<3>}	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.4763	4.742	39	120.4561	4.978	44
762	286	856	6:SP2_SP2_SP3	C[6]	S[6]	N[6,6]	3:2:2:	4:3:	4:4:3:	N[6,6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a])	S[6](C[6]C[6,6]HH)(C[6]N[6,6]N)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a]){2|C<4>,6|H<1>}	S[6](C[6]C[6,6]HH)(C[6]N[6,6]N){1|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N){2|C<4>,3|H<1>}	115.3595	0.837	2	115.3595	0.700	2	115.3595	0.700	2	115.3595	0.700	2	115.3595	0.700	2	117.1946	2.509	8
762	286	856	6:SP2_SP2_SP3	C[6]	S[6]	N[6]	2:3:2:	3:3:	4:3:4:	S[6]-2:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:	S[6]-4:C[6]-3:C-4:	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	117.8063	1.577	6	117.1946	2.509	8
762	286	856	6:SP2_SP2_SP3	C[6]	S[6]	N[6]	2:3:3:	3:3:	4:3:4:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6]-3:S-4:	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO){2|C<3>}	118.2060	0.000	1	118.2060	0.000	1	118.2060	0.000	1	117.1953	0.460	4	117.8063	1.577	6	117.1946	2.509	8
762	286	856	6:SP2_SP2_SP3	C[6]	S[6]	N[6]	2:3:3:	3:3:	4:3:4:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:	S[6]-4:C[6]-3:C-4:	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	116.8583	0.092	3	116.8583	0.008	3	116.8583	0.008	3	117.1953	0.460	4	117.8063	1.577	6	117.1946	2.509	8
762	286	856	6:SP2_SP2_SP3	C[6]	S[6]	N[6]	3:2:2:	4:3:	3:2:1:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]N[6]H)(S[6]C[6])(NN)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	117.8063	1.577	6	117.1946	2.509	8
762	286	863	0:SP2_SP2_SP2	C[6]	S[6]	O	2:4:1:	3:3:	3:	S[6]-2:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](S[6]C[5a,6])(C[6]C[6]HN)(O)	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	O(C[6]C[6]S[6])	C[6](S[6]C[5a,6])(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[6]S[6])	118.1520	0.000	1	118.1520	0.000	1	118.1520	0.000	1	118.1520	0.000	1	117.5394	1.515	8	117.5394	1.515	8
762	286	863	0:SP2_SP2_SP2	C[6]	S[6]	O	3:2:1:	4:3:	3:	N[6]-3:S[6]-2:O-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6]C)(S[6]C[6])(O)	S[6](C[6]C[6]CH)(C[6]N[6]O)	O(C[6]N[6]S[6])	C[6](N[6]C[6]C)(S[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	S[6](C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]N[6]S[6])	116.9330	0.000	1	116.9330	0.000	1	116.9330	0.000	1	116.9330	0.000	1	117.5394	1.515	8	117.5394	1.515	8
762	286	863	0:SP2_SP2_SP2	C[6]	S[6]	O	4:2:1:	3:3:	3:	C[4,6]-4:S[6]-2:O-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(S[6]C[6,6a])(O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	O(C[6]C[4,6]S[6])	C[6](C[4,6]C[4,6]2H)(S[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[4,6]S[6])	117.4465	1.585	4	117.4465	2.512	4	117.4465	2.512	4	117.4465	2.512	4	117.5394	1.515	8	117.5394	1.515	8
762	286	863	0:SP2_SP2_SP2	C[6]	S[6]	O	4:2:1:	4:3:	3:	C[5,6]-4:S[6]-2:O-1:	C[5,6,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O)	O(C[6]C[5,6]S[6])	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O){1|H<1>,2|C<3>,2|C<4>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O){2|H<1>,3|C<4>,3|S<2>}	O(C[6]C[5,6]S[6])	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	117.7220	2.226	2	117.5394	1.515	8	117.5394	1.515	8
762	286	863	0:SP2_SP2_SP2	C[6]	S[6]	O	4:2:1:	4:3:	3:	C[6]-4:S[6]-2:O-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]HH)(S[6]C[5,6])(O)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	O(C[6]C[6]S[6])	C[6](C[6]C[6]HH)(S[6]C[5,6])(O){2|C<4>,3|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6]S[6])	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	117.7220	2.226	2	117.5394	1.515	8	117.5394	1.515	8
762	286	880	0:SP2_SP2_SP3	C[6]	S[6]	Si	3:2:4:	3:3:	3:4:4:4:	C[6]-3:S[6]-2:Si-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](C[6]S[6]H)(S[6]C[6])(SiC3)	S[6](C[6]C[6]Si)(C[6]C[6]H)	Si(C[6]C[6]S[6])(CCCH)3	C[6](C[6]S[6]H)(S[6]C[6])(SiC3){1|C<3>,1|H<1>,2|O<1>}	S[6](C[6]C[6]Si)(C[6]C[6]H){1|S<4>,2|H<1>}	Si(C[6]C[6]S[6])(CCCH)3	115.3025	0.972	2	115.3025	0.945	2	115.3025	0.945	2	115.3025	0.945	2	115.3025	0.945	2	115.3025	0.945	2
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	2:2:2:	3:3:	3:4:	S[6]-2:N[6]-2:S-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:	C[6](S[6]C[6,6a])(N[6]N[6])(SC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	S(C[6]N[6]S[6])(CCHH)	C[6](S[6]C[6,6a])(N[6]N[6])(SC){3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|C<4>,1|N<3>,2|N<2>}	S(C[6]N[6]S[6])(CCHH)	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	2:2:2:	4:3:	3:4:	N[6]-2:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6])(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]N[6]S)	S(C[6]N[6]S[6])(CCHH)	C[6](N[6]C[6])(S[6]C[6])(SC){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]S){1|C<4>,2|H<1>}	S(C[6]N[6]S[6])(CCHH)	108.3620	0.000	1	108.3620	0.000	1	107.5520	1.312	2	107.5520	1.312	2	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	2:2:2:	4:3:	3:4:	N[6]-2:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6])(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]N[6]S)	S(C[6]N[6]S[6])(CC[6a]HH)	C[6](N[6]C[6])(S[6]C[6])(SC){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]S){1|C<4>,2|H<1>}	S(C[6]N[6]S[6])(CC[6a]HH)	106.7420	0.000	1	106.7420	0.000	1	107.5520	1.312	2	107.5520	1.312	2	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	2:3:2:	3:3:	3:4:	S[6]-2:C[6]-3:S-2:	C[5,6]-3:C[6]-3:	C[6]-3:C-4:	C[6](S[6]C[5,6])(C[6]S[6]S)(SC)	S[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]S)	S(C[6]C[6]S[6])(CH3)	C[6](S[6]C[5,6])(C[6]S[6]S)(SC){2|C<3>}	S[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]S){2|S<2>,3|C<3>}	S(C[6]C[6]S[6])(CH3)	114.0675	4.580	2	114.0675	20.976	2	114.0675	20.976	2	113.8977	10.574	3	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	2:3:2:	3:3:	3:4:	S[6]-2:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:	C[6](S[6]C[6,6a])(C[6]S[6]S)(SC)	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)	S(C[6]C[6]S[6])(CH3)	C[6](S[6]C[6,6a])(C[6]S[6]S)(SC){1|C<3>,1|N<2>}	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S){1|C<3>,1|N<2>,2|S<2>}	S(C[6]C[6]S[6])(CH3)	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	113.8977	10.574	3	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	3:2:2:	3:3:	3:4:	C[6]-3:S[6]-2:S-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]C[6]N)(C[6]C[6]S)	S(C[6]C[6]S[6])(CH3)	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|H<1>,1|N<3>,2|C<3>}	S[6](C[6]C[6]N)(C[6]C[6]S){1|C<2>,1|C<3>,1|C<4>}	S(C[6]C[6]S[6])(CH3)	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	3:2:2:	4:3:	3:3:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C-3:	C[6](C[6]S[6]S)(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]C[6]S)	S(C[6]C[6]S[6])(COO)	C[6](C[6]S[6]S)(S[6]C[6])(SC){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	S(C[6]C[6]S[6])(COO)	109.6060	0.078	2	109.6060	0.006	2	109.6060	0.006	2	109.6060	0.006	2	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	3:2:2:	4:3:	3:4:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[5a]O[6])(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]C[6]S)	S(C[6]C[6]S[6])(CH3)	C[6](C[6]C[5a]O[6])(S[6]C[6])(SC){1|S<2>,2|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]S){1|O<2>,2|C<3>}	S(C[6]C[6]S[6])(CH3)	114.7220	0.000	1	114.7220	0.000	1	112.5408	9.560	4	112.5408	9.560	4	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	3:2:2:	4:3:	3:4:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]C[6]CC)(C[6]C[6]S)	S(C[6]C[6]S[6])(CH3)	C[6](C[6]C[6]C)(S[6]C[6])(SC){2|H<1>,3|C<4>}	S[6](C[6]C[6]CC)(C[6]C[6]S){1|C<3>,1|C<4>,2|H<1>}	S(C[6]C[6]S[6])(CH3)	114.5020	0.000	1	114.5020	0.000	1	112.5408	9.560	4	112.5408	9.560	4	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	3:2:2:	4:3:	3:4:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]N[6]HH)(C[6]C[6]S)	S(C[6]C[6]S[6])(CH3)	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|N<3>,4|H<1>}	S[6](C[6]N[6]HH)(C[6]C[6]S){1|C<4>,2|C<3>}	S(C[6]C[6]S[6])(CH3)	112.8670	0.000	1	112.8670	0.000	1	112.5408	9.560	4	112.5408	9.560	4	111.7222	9.692	13	111.7222	9.692	13
762	286	909	0:SP2_SP2_SP2	C[6]	S[6]	S	3:2:2:	4:3:	3:4:	C[6]-3:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(S[6]C[6])(SC)	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S)	S(C[6]C[6]S[6])(CCHH)	C[6](C[6]C[6]H)(S[6]C[6])(SC){1|C<3>,1|O<2>,2|S<2>}	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S){1|H<1>,3|C<3>}	S(C[6]C[6]S[6])(CCHH)	108.0720	0.000	1	108.0720	0.000	1	112.5408	9.560	4	112.5408	9.560	4	111.7222	9.692	13	111.7222	9.692	13
762	286	914	0:SP2_SP2_SP2	C[6,6]	S[6]	N[6]	3:2:2:	3:3:	3:4:	N[6,6]-3:S[6]-2:N[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6])	N[6](C[6,6]N[6,6]S[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6]N[6,6]S[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	112.5760	0.256	2	112.5760	0.066	2	112.5760	0.066	2	112.5760	0.066	2	112.5760	0.066	2	112.5760	0.066	2
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:1:	3:3:	3:3:	N[6]-2:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S)	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]S)	C[6](N[6]C[5,6])(S[6]C[6])(S){1|N<2>,1|N<3>,1|S<1>}	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]S){1|C<3>,2|C<4>}	123.3870	0.000	1	122.5817	0.486	3	122.5817	0.486	3	122.4985	0.352	4	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:1:	3:3:	3:3:	N[6]-2:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S)	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]S)	C[6](N[6]C[5,6])(S[6]C[6])(S){1|S<1>,2|N<3>}	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]S){1|C<3>,1|H<1>,2|C<4>}	122.1790	0.000	2	122.5817	0.486	3	122.5817	0.486	3	122.4985	0.352	4	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:1:	3:3:	3:3:	N[6]-2:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]N[6]S)	N[6](C[6]C[6a]C[6])(C[6]S[6]S)	C[6](N[6]C[6])(S[6]C[6])(S){3|C<3>}	S[6](C[6]C[6a]C[6])(C[6]N[6]S){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]S[6]S){1|H<1>,3|C<3>}	122.2490	0.000	1	122.2490	0.000	1	122.2490	0.000	1	122.4985	0.352	4	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:2:	2:3:	3:3:	N[6]-2:S[6]-2:C-2:	S[6]-2:C[6]-3:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(S[6]S[6])(CN)	S[6](S[6]C[5a,6])(C[6]N[6]C)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]S[6]C)	C[6](N[6]C[5a,6])(S[6]S[6])(CN){1|C<3>,1|N<3>}	S[6](S[6]C[5a,6])(C[6]N[6]C){2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	126.8620	0.000	1	126.8620	0.000	1	126.8620	0.000	1	126.8620	0.000	1	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:2:	3:3:	3:3:	S[6]-2:N[6]-2:S-2:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:	C[6](S[6]C[6,6a])(N[6]N[6])(SC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	N[6](N[6]C[6,6a]C[6a])(C[6]S[6]S)	C[6](S[6]C[6,6a])(N[6]N[6])(SC){3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|C<4>,1|N<3>,2|N<2>}	N[6](N[6]C[6,6a]C[6a])(C[6]S[6]S){1|N<2>,3|C<3>}	125.3520	0.000	1	125.3520	0.000	1	125.3520	0.000	1	125.3520	0.000	1	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:2:	3:3:	4:3:	S[6]-2:N[6]-2:N-2:	C[6,6a]-3:C[6]-3:	S[6]-4:C[6]-3:	C[6](S[6]C[6,6a])(N[6]S[6])(NC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)	C[6](S[6]C[6,6a])(N[6]S[6])(NC){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]N){2|C<3>}	126.6590	0.000	1	126.6590	0.000	1	126.6590	0.000	1	126.6590	0.000	1	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:2:	4:3:	3:3:	N[6]-2:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6])(S[6]C[6])(NH)	S[6](C[6]S[6]HH)(C[6]N[6]N)	N[6](C[6]S[6]N)2	C[6](N[6]C[6])(S[6]C[6])(NH){1|N<3>,1|S<2>,2|H<1>}	S[6](C[6]S[6]HH)(C[6]N[6]N){1|C<3>}	N[6](C[6]S[6]N)2{1|C<4>}	127.8920	0.000	1	127.8920	0.000	1	127.8920	0.000	1	127.8920	0.000	1	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:2:	4:3:	4:3:	N[6]-2:S[6]-2:S-2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]N[6]S)	N[6](C[6]C[6]HH)(C[6]S[6]S)	C[6](N[6]C[6])(S[6]C[6])(SC){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]S){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>}	129.8375	0.729	2	129.8375	0.531	2	129.8375	0.531	2	129.8375	0.531	2	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	3:3:	3:3:	N[6]-2:S[6]-2:N-3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(S[6]C[6])(NCC)	S[6](C[6]C[6,6a]N)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6](N[6]C[6,6a])(S[6]C[6])(NCC){1|N<2>,2|C<3>}	S[6](C[6]C[6,6a]N)(C[6]N[6]N){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|H<1>,3|C<3>}	127.0120	0.000	1	127.0120	0.000	1	127.7950	1.226	2	127.7950	1.226	2	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	3:3:	3:3:	N[6]-2:S[6]-2:N-3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){3|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]N){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|H<1>,3|C<3>}	128.5780	0.000	1	128.5780	0.000	1	127.7950	1.226	2	127.7950	1.226	2	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	3:2:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:	C[6](N[6]N[6])(S[6]C[6])(NCH)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]S[6]N)(N[6]C[6])	C[6](N[6]N[6])(S[6]C[6])(NCH){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|N<2>}	N[6](C[6]S[6]N)(N[6]C[6]){1|C<3>,1|C<4>}	125.0707	0.766	3	125.0707	0.587	3	125.0707	0.587	3	125.0707	0.587	3	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	3:3:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H)	S[6](C[6]N[5,6]HH)(C[6]N[6]N)	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]N)	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H){2|H<1>,2|N<3>}	S[6](C[6]N[5,6]HH)(C[6]N[6]N){2|C<3>}	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]N){2|C<3>,2|C<4>}	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	125.4744	1.313	7	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	3:3:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	S[6](C[6]C[6,6a]HH)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){2|C<3>,2|H<1>}	S[6](C[6]C[6,6a]HH)(C[6]N[6]N){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|C<4>,1|F<1>,2|C<3>}	125.6155	0.520	2	125.6155	0.270	2	125.6155	0.270	2	125.4744	1.313	7	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	3:3:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C)	S[6](C[6]N[6]CC)(C[6]N[6]N)	N[6](C[6]N[6]S)(C[6]S[6]N)	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C){1|N<3>,1|S<1>,2|C<4>}	S[6](C[6]N[6]CC)(C[6]N[6]N){1|C<3>,1|H<1>}	N[6](C[6]N[6]S)(C[6]S[6]N){1|C<4>,1|H<1>}	125.0125	0.043	2	125.0125	0.002	2	125.4708	2.499	4	125.4744	1.313	7	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	3:3:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	N[6](C[6]C[6]C)(C[6]S[6]N)	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){4|C<3>}	N[6](C[6]C[6]C)(C[6]S[6]N){1|C<3>,1|C<4>}	124.1050	0.000	1	124.1050	0.000	1	125.4708	2.499	4	125.4744	1.313	7	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	3:3:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]S[6]HH)(C[6]N[6]N)	N[6](C[6]S[6]N)2	C[6](N[6]C[6])(S[6]C[6])(NHH){1|N<2>,1|S<2>,2|H<1>}	S[6](C[6]S[6]HH)(C[6]N[6]N){1|C<3>}	N[6](C[6]S[6]N)2{1|C<4>}	127.7530	0.000	1	127.7530	0.000	1	125.4708	2.499	4	125.4744	1.313	7	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	4:3:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:	C[6](N[6]C[5,6])(S[6]C[6])(NCH)	S[6](C[6]C[5,6]HH)(C[6]N[6]N)	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]S[6]N)	C[6](N[6]C[5,6])(S[6]C[6])(NCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[6](C[6]C[5,6]HH)(C[6]N[6]N){1|H<1>,2|C<4>}	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]S[6]N){1|H<1>,2|C<3>,3|C<4>}	128.8695	0.084	2	128.8695	0.007	2	128.8695	0.007	2	128.6680	1.125	9	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	4:3:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]C[6]CH)(C[6]N[6]N)	N[6](C[6]C[6a]C[6]C)(C[6]S[6]N)	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<3>,1|H<1>,3|C<4>}	S[6](C[6]C[6]CH)(C[6]N[6]N){1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]S[6]N){1|C<4>,2|C<3>,2|H<1>}	127.4750	1.681	2	127.4750	2.827	2	127.4750	2.827	2	128.6680	1.125	9	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	4:3:	S[6]-2:N[6]-2:N-3:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H)	S[6](C[6,6]C[6]3)(C[6]N[6]N)	N[6](C[6]C[6]HH)(C[6]S[6]N)	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H){2|H<1>,3|C<4>}	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,6|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N){1|C<4>,2|H<1>}	128.7305	0.270	4	128.7305	0.073	4	129.0646	0.613	5	128.6680	1.125	9	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:3:	4:3:	4:3:	S[6]-2:N[6]-2:N-3:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S)	S[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]N)	N[6](C[6]C[6]HH)(C[6]S[6]N)	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S){1|C<3>,2|C<4>,2|H<1>}	S[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]N){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N){1|C<4>,2|H<1>}	130.4010	0.000	1	130.4010	0.000	1	129.0646	0.613	5	128.6680	1.125	9	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	2:2:4:	3:3:	3:3:	N[6]-2:S[6]-2:C-4:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(S[6]C[6])(CH3)	S[6](C[6]C[6,6a]C)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)	C[6](N[6]C[6,6a])(S[6]C[6])(CH3){3|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]C){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C){1|H<1>,3|C<3>}	126.7690	0.000	1	126.7690	0.000	1	126.7690	0.000	1	126.7690	0.000	1	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	3:4:	3:4:	C[6a]-3:N[6]-2:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	S[6](C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6]C[6a]S[6])(C[6]C[6]CO)	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	S[6](C[6]C[6a]N[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]S[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	128.8050	0.000	1	128.8050	0.000	1	128.8050	0.000	1	128.8050	0.000	1	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	3:2:2:	4:3:	3:4:	C[6a]-3:N[6]-2:S[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	S[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	N[6](C[6]C[6a]S[6])(C[6]C[6]CO)	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	S[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]S[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	128.6480	0.000	1	128.6480	0.000	1	128.6480	0.000	1	128.6480	0.000	1	126.6649	5.289	35	126.6649	5.289	35
762	286	914	6:SP2_SP2_SP2	C[6]	S[6]	N[6]	4:2:2:	3:3:	3:3:	C[5]-4:N[6]-2:S[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(S[6]C[6])	S[6](C[6]C[5]N[6])(C[6]C[6,6a]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]S[6])	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(S[6]C[6]){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	S[6](C[6]C[5]N[6])(C[6]C[6,6a]S){1|Fe<10>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]S[6]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	125.4820	0.000	1	125.4820	0.000	1	125.4820	0.000	1	125.4820	0.000	1	126.6649	5.289	35	126.6649	5.289	35
762	286	922	6:SP2_SP2_SP3	C[6]	S[6]	S[6]	3:2:3:	4:3:	4:3:1:	S[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](S[6]C[6]O)(S[6]C[6])(CCC)	S[6](C[6]C[6]CH)(C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]S[6]C)(O)	C[6](S[6]C[6]O)(S[6]C[6])(CCC){2|H<1>,3|C<4>}	S[6](C[6]C[6]CH)(C[6]S[6]C){1|C<4>,1|O<1>,2|H<1>}	S[6](C[6]C[6]CH)(C[6]S[6]C)(O){1|C<4>,2|H<1>}	115.9930	0.000	1	115.9930	0.000	1	117.4265	4.110	2	117.4265	4.110	2	117.4265	4.110	2	117.4265	4.110	2
762	286	922	6:SP2_SP2_SP3	C[6]	S[6]	S[6]	3:2:3:	4:3:	4:3:1:	S[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](S[6]C[6]O)(S[6]C[6])(CHH)	S[6](C[6]C[6]CH)(C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]S[6]C)(O)	C[6](S[6]C[6]O)(S[6]C[6])(CHH){2|H<1>,3|C<4>}	S[6](C[6]C[6]CH)(C[6]S[6]C){1|C<4>,1|O<1>,2|H<1>}	S[6](C[6]C[6]CH)(C[6]S[6]C)(O){1|C<4>,2|H<1>}	118.8600	0.000	1	118.8600	0.000	1	117.4265	4.110	2	117.4265	4.110	2	117.4265	4.110	2	117.4265	4.110	2
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:2:3:	3:3:	3:3:4:	O[6]-2:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C-4:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]N)(C[6]O[6]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|N<2>,1|O<1>}	S[6](C[6]C[6]N)(C[6]O[6]C){1|C<4>,2|C<3>}	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	123.4520	0.000	1	123.4520	0.000	1	123.3330	0.028	2	123.3330	0.028	2	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:2:3:	3:3:	3:3:4:	O[6]-2:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C-4:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]S)(C[6]O[6]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CH3)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|O<1>,1|S<1>}	S[6](C[6]C[6]S)(C[6]O[6]C){1|C<4>,2|C<3>}	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CH3)	123.2140	0.000	1	123.2140	0.000	1	123.3330	0.028	2	123.3330	0.028	2	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:2:3:	3:3:	3:4:2:	S[6]-2:Se[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:Si-4:C-2:	C[6](S[6]C[6,6a])(Se[6]C[6])(CSiC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C)	C(C[6]Se[6]S[6])(SiC3)(CN)	C[6](S[6]C[6,6a])(Se[6]C[6])(CSiC){2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C){1|C<4>,1|H<1>,2|C<3>}	C(C[6]Se[6]S[6])(SiC3)(CN)	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:2:3:	4:3:	3:2:2:	S[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-2:C-2:	C[6](S[6]C[6])2(CCC)	S[6](C[6]C[6,6]HH)(C[6]S[6]C)	C(C[6]S[6]2)(CN)2	C[6](S[6]C[6])2(CCC){1|C<4>,4|H<1>}	S[6](C[6]C[6,6]HH)(C[6]S[6]C){3|C<4>}	C(C[6]S[6]2)(CN)2	120.3100	0.099	2	120.3100	0.010	2	120.3100	0.010	2	120.3100	0.010	2	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:2:3:	4:3:	3:3:2:	S[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:C-2:	C[6](S[6]C[6])2(CCC)	S[6](C[6]C[6]HH)(C[6]S[6]C)	C(C[6]S[6]2)(COO)(CN)	C[6](S[6]C[6])2(CCC){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	C(C[6]S[6]2)(COO)(CN)	119.4982	2.877	4	119.4982	8.275	4	119.4982	8.275	4	119.4982	8.275	4	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:2:3:	4:3:	3:3:3:	S[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:C-3:	C[6](S[6]C[6])2(CCC)	S[6](C[6]C[6]HH)(C[6]S[6]C)	C(C[6]S[6]2)(CCH)(COO)	C[6](S[6]C[6])2(CCC){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	C(C[6]S[6]2)(CCH)(COO)	120.4330	3.492	2	120.4330	12.192	2	120.4330	12.192	2	120.9087	6.784	4	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:2:3:	4:3:	3:3:3:	S[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:C-3:	C[6](S[6]C[6])2(CC[6a]C)	S[6](C[6]C[6]HH)(C[6]S[6]C)	C(C[6a]C[6a,6a]C[6a])(C[6]S[6]2)(COO)	C[6](S[6]C[6])2(CC[6a]C){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]S[6]2)(COO)	121.3845	2.693	2	121.3845	7.254	2	121.3845	7.254	2	120.9087	6.784	4	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:2:3:	4:3:	3:3:4:	O[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C-4:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]HS)(C[6]O[6]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	S[6](C[6]C[6]HS)(C[6]O[6]C){1|C<4>,2|C<3>}	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	126.7340	0.000	1	126.7340	0.000	1	126.7340	0.000	1	126.7340	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:3:3:	3:3:	3:3:1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	123.8558	0.913	15	123.8049	0.819	16	123.8049	0.819	16	123.4519	4.600	23	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:3:3:	3:3:	3:3:1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	123.0410	0.000	1	123.8049	0.819	16	123.8049	0.819	16	123.4519	4.600	23	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:3:3:	3:3:	3:3:1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(O)	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(O)	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	123.4519	4.600	23	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:3:3:	3:3:	3:3:1:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]S[6])(COO)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH){1|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]N[6]S[6])(COO)(H)	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	123.4519	4.600	23	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:3:3:	3:3:	3:3:1:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	124.2858	0.640	5	124.2858	0.410	5	124.2858	0.410	5	123.4519	4.600	23	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:3:3:	3:3:	3:4:1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(CH3)(O)	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]S[6])(CH3)(O)	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	111.8255	23.909	2	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:3:3:	3:3:	3:4:1:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:S-4:H-1:	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]S[6])(SC[6a]OO)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]N[6]S[6])(SC[6a]OO)(H)	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	111.8255	23.909	2	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:3:3:	6:3:	3:4:1:	S[6]-2:C[6]-3:C-3:	C[5x3,5x5,21x6]-6:C[6]-3:	C[6]-3:C[5]-4:O-1:	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O)	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)	C(C[6]C[6]S[6])(C[5]C[5]2Fe)(O)	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O){1|C<6>,4|B<6>}	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C){1|S<2>,5|B<6>,5|H<1>}	C(C[6]C[6]S[6])(C[5]C[5]2Fe)(O)	110.0780	0.000	2	110.0780	0.000	2	110.0780	0.000	2	110.0780	0.000	2	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:4:3:	3:3:	3:3:2:	S[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C-2:	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(CN)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C){2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(CN)	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:4:3:	3:3:	3:3:4:	S[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:P[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6]){1|H<1>,1|O<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(P[6]O[6]2O)	117.8223	1.537	3	117.8223	2.363	3	117.8223	2.363	3	117.8223	2.363	3	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:4:3:	3:3:	3:4:2:	S[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:C-2:	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(CH3)(CN)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC){2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]S[6])(CH3)(CN)	119.3580	0.000	1	119.3580	0.000	1	119.3580	0.000	1	119.3580	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	2:4:3:	3:3:	3:4:4:	S[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:P[6]-4:C-4:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CP[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(P[6]O[6]2O)(CH3)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CP[6]C){1|H<1>,1|O<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]S[6])(P[6]O[6]2O)(CH3)	115.7810	0.000	1	115.7810	0.000	1	115.7810	0.000	1	115.7810	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:1:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]O)(S[6]C[6])(CHO)	S[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]S[6])(H)(O)	C[6](C[6]C[6]O)(S[6]C[6])(CHO){1|C<3>,1|H<1>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]S[6])(H)(O)	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)(S[6]C[6])(COO)	S[6](C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]C[6]O)(S[6]C[6])(COO){1|C<3>,1|N<3>,1|S<1>}	S[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,1|N<3>,1|O<2>}	C(C[6]C[6]S[6])(OC)(O)	108.3040	0.000	1	108.3040	0.000	1	112.9980	23.718	3	112.9980	23.718	3	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]S[6]C)(S[6]C[6])(COO)	S[6](C[6]C[6]C)(C[6]C[6]S)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]S[6]C)(S[6]C[6])(COO){1|C<3>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]S){1|C<3>,2|S<2>}	C(C[6]C[6]S[6])(OC)(O)	115.3450	3.793	2	115.3450	14.386	2	112.9980	23.718	3	112.9980	23.718	3	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:S[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<3>,3|C<3>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C){1|N<2>,4|C<3>}	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	121.0490	0.000	1	121.0490	0.000	1	120.2275	1.350	2	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:S[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C){2|C<3>,2|N<2>}	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	119.4060	0.000	1	119.4060	0.000	1	120.2275	1.350	2	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	C(C[6]C[6,6a]S[6])(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]N){2|C<3>}	C(C[6]C[6,6a]S[6])(CC[6a]O)(H)	117.3100	0.000	1	117.3100	0.000	1	118.1693	1.312	4	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){5|C<3>}	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	117.2680	0.000	1	117.2680	0.000	1	118.1693	1.312	4	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH){5|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){5|C<3>}	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	119.0495	0.914	2	119.0495	0.836	2	118.1693	1.312	4	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	S[6](C[6]C[6,6a]C)(C[6]N[6]C)	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]C){2|C<3>}	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	121.7550	0.000	1	121.7550	0.000	1	120.3715	3.828	2	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	S[6](C[6]C[6,6a]C)(C[6]N[6]N){1|H<1>,2|C<3>}	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	118.9880	0.000	1	118.9880	0.000	1	120.3715	3.828	2	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:S[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	C(C[6]C[6]S[6])(CC[6a]O)(H)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH){1|N<2>,1|N<3>,2|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	C(C[6]C[6]S[6])(CC[6a]O)(H)	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:S[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[6]S[6]C)(S[6]C[6])(CNO)	S[6](C[6]C[6]C)2	C(C[6]C[6]S[6])(NCH)(O)	C[6](C[6]S[6]C)(S[6]C[6])(CNO){2|C<3>}	S[6](C[6]C[6]C)2{1|S<2>,2|C<4>}	C(C[6]C[6]S[6])(NCH)(O)	117.2258	0.686	5	117.2258	0.470	5	117.2258	0.470	5	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:3:1:	N[5a,6]-3:S[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C)	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	121.1385	0.555	2	121.1385	0.308	2	121.1385	0.308	2	119.1176	3.672	17	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	3:3:	3:4:3:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:P-4:C[5]-3:	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P)	S[6](C[6]C[6]C)2	C(C[6]C[6]S[6])(PC[6a]2Mo)(C[5]S[5]2)	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P){1|C<3>,1|C<4>}	S[6](C[6]C[6]C)2{1|C<4>,1|P<4>,1|S<2>}	C(C[6]C[6]S[6])(PC[6a]2Mo)(C[5]S[5]2)	116.0745	1.095	2	116.0745	1.200	2	116.0745	1.200	2	116.0745	1.200	2	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	4:3:	3:1:1:	S[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](S[6]C[6]O)(S[6]C[6])(CHH)	S[6](C[6]C[6]CH)(C[6]S[6]C)	C(C[6]S[6]2)(H)2	C[6](S[6]C[6]O)(S[6]C[6])(CHH){2|H<1>,3|C<4>}	S[6](C[6]C[6]CH)(C[6]S[6]C){1|C<4>,1|O<1>,2|H<1>}	C(C[6]S[6]2)(H)2	123.6670	0.000	1	123.6670	0.000	1	123.6670	0.000	1	123.6670	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(S[6]C[6])(COO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]C[6]C)(S[6]C[6])(COO){1|C<4>,1|N<3>,3|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]S[6])(OC)(O)	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[6]O[6]C)(S[6]C[6])(CNO)	S[6](C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]S[6])(NC[6a]H)(O)	C[6](C[6]O[6]C)(S[6]C[6])(CNO){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]S[6])(NC[6a]H)(O)	112.6357	2.802	3	112.6357	7.854	3	112.6357	7.854	3	115.0010	14.433	5	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	4:3:	3:3:1:	N[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(CCH)	S[6](C[6]C[6]HH)(C[6]N[6]C)	C(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CCH){1|C<4>,1|O<1>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]C){1|C<3>,3|H<1>}	C(C[6]N[6]S[6])(COO)(H)	118.5490	0.249	2	118.5490	0.062	2	118.5490	0.062	2	115.0010	14.433	5	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	4:3:	3:4:4:	S[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-4:C-4:	C[6](S[6]C[6]O)(S[6]C[6])(CCC)	S[6](C[6]C[6]CH)(C[6]S[6]C)	C(C[6]S[6]2)(CH3)2	C[6](S[6]C[6]O)(S[6]C[6])(CCC){2|H<1>,3|C<4>}	S[6](C[6]C[6]CH)(C[6]S[6]C){1|C<4>,1|O<1>,2|H<1>}	C(C[6]S[6]2)(CH3)2	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	3:2:3:	4:3:	4:3:1:	S[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[5]-4:C[6]-3:H-1:	C[6](S[6]C[6]Pd)(S[6]C[6])(CC[5]H)	S[6](C[6]C[6]HH)(C[6]S[6]C)	C(C[5]C[5]2Fe)(C[6]S[6]2)(H)	C[6](S[6]C[6]Pd)(S[6]C[6])(CC[5]H){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]C){1|Pd<4>,1|C<4>,2|H<1>}	C(C[5]C[5]2Fe)(C[6]S[6]2)(H)	126.8465	0.190	2	126.8465	0.036	2	126.8465	0.036	2	126.8465	0.036	2	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	4:2:3:	3:3:	3:1:1:	C[6]-4:S[6]-2:C-3:	C[5,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)	C(C[6]C[6]S[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]C){1|C<3>,2|H<1>,2|S<2>}	C(C[6]C[6]S[6])(H)2	118.3480	0.000	1	118.3480	0.000	1	118.3480	0.000	1	116.1513	4.002	3	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	4:2:3:	3:3:	3:1:1:	C[6]-4:S[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]S[6])(H)2	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C(C[6]C[6]S[6])(H)2	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	116.1513	4.002	3	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	4:2:3:	3:3:	3:1:1:	C[6]-4:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:I-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CHI)	S[6](C[6]C[6]C)(C[6]N[6]N)	C(C[6]C[6]S[6])(H)(I)	C[6](C[6]C[6]HH)(S[6]C[6])(CHI){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	S[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]S[6])(H)(I)	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	116.1513	4.002	3	119.6557	19.491	86	119.6557	19.491	86
762	286	930	0:SP2_SP2_SP2	C[6]	S[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:S[6]-2:C-3:	C[5,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH)	S[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)	C(C[6]C[6]S[6])(CC[6a]O)(H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH){1|N<2>,1|O<2>,2|C<3>}	S[6](C[5,6]C[5,6]N[5])(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]S[6])(CC[6a]O)(H)	119.6697	0.424	3	119.6697	0.180	3	119.6697	0.180	3	119.6697	0.180	3	119.6557	19.491	86	119.6557	19.491	86
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:2:	3:3:	3:4:	S[6]-2:N[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:	C[6](S[6]C[6,6a])(N[6]S[6])(NC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	N(C[6]N[6]S[6])(CCCH)	C[6](S[6]C[6,6a])(N[6]S[6])(NC){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|S<4>,2|C<3>}	N(C[6]N[6]S[6])(CCCH)	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:2:	4:3:	3:1:	N[6]-2:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:H-1:	C[6](N[6]C[6])(S[6]C[6])(NH)	S[6](C[6]S[6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(H)	C[6](N[6]C[6])(S[6]C[6])(NH){1|N<3>,1|S<2>,2|H<1>}	S[6](C[6]S[6]HH)(C[6]N[6]N){1|C<3>}	N(C[6]N[6]S[6])(H)	114.5130	0.000	1	114.5130	0.000	1	114.5130	0.000	1	114.5130	0.000	1	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	2:3:2:	3:3:	3:2:	S[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:O-2:	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]S[6])(OH)	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6]C[6]S[6])(OH)	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	2:3:2:	3:3:	3:3:	S[6]-2:C[6]-3:N-2:	C[5a,6]-3:C[6]-3:	C[6]-3:N-3:	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]S[6])(NC[6a]H)	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN){1|N<2>,1|N<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N){1|C<3>,1|C<4>,2|N<2>}	N(C[6]C[6]S[6])(NC[6a]H)	121.5365	0.530	2	121.5365	0.281	2	121.5365	0.281	2	122.1342	0.412	5	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	2:3:2:	3:3:	3:3:	S[6]-2:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	122.5327	0.299	3	122.5327	0.089	3	122.5327	0.089	3	122.1342	0.412	5	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	2:3:2:	4:3:	3:3:	S[6]-2:N[6]-3:N-2:	C[6,6]-4:C[6]-3:	C[6]-3:C-3:	C[6](S[6]C[6,6])(N[6]C[6]H)(NC)	S[6](C[6,6]C[6]3)(C[6]N[6]N)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC){2|H<1>,3|C<4>}	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,7|H<1>}	N(C[6]N[6]S[6])(CC[6a]O)	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	118.5062	30.690	4	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	2:3:2:	4:3:	3:3:	S[6]-2:N[6]-3:N-2:	C[6,6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a])	S[6](C[6,6]C[6]3)(C[6]N[6]N)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,7|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	121.2570	0.797	3	121.2570	0.636	3	121.2570	0.636	3	118.5062	30.690	4	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	3:3:	3:3:	C[6,6a]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC)	S[6](C[6]C[6,6a]N)(C[6]N[6]N)	N(C[6]C[6,6a]S[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[6](C[6]C[6,6a]N)(C[6]N[6]N){2|C<3>}	N(C[6]C[6,6a]S[6])(CCO)	121.9140	0.000	1	121.9140	0.000	1	121.9140	0.000	1	121.3366	1.449	8	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	3:3:	3:3:	C[6]-3:S[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(NC[6a]){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	121.3366	1.449	8	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	3:3:	3:3:	C[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[5,6]C)(C[6]C[6]N)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|C<4>}	S[6](C[6]C[5,6]C)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	121.2980	0.079	2	121.2980	0.006	2	120.6688	0.959	4	121.3366	1.449	8	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	3:3:	3:3:	C[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[5,6]H)(C[6]C[6]N)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	S[6](C[6]C[5,6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	120.0395	1.135	2	120.0395	1.288	2	120.6688	0.959	4	121.3366	1.449	8	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	3:3:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C-3:	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC)	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC){1|N<2>,2|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]N){1|H<1>,2|C<3>}	N(C[6]N[6]S[6])(CC[6a]O)	123.5980	0.000	1	123.5980	0.000	1	122.4705	2.543	2	121.3366	1.449	8	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	3:3:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C-3:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	S[6](C[6]C[6]C)(C[6]N[6]N)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,4|C<3>}	S[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6]N[6]S[6])(CC[6a]O)	121.3430	0.000	1	121.3430	0.000	1	122.4705	2.543	2	121.3366	1.449	8	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	3:3:	3:4:	N[5a,6]-3:S[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	N(C[6]N[5a,6]S[6])(CC[6a]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC){1|N<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	N(C[6]N[5a,6]S[6])(CC[6a]HH)	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:2:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C-2:	C[6](N[6]C[6]H)(S[6]C[6])(NC)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(CN)	C[6](N[6]C[6]H)(S[6]C[6])(NC){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<4>,3|H<1>}	N(C[6]N[6]S[6])(CN)	119.2060	0.000	1	119.2060	0.000	1	119.2060	0.000	1	121.6376	2.269	5	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:2:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:N-2:	C[6](N[6]N[6]H)(S[6]C[6])(NN)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(NC)	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6]N[6]S[6])(NC)	122.2455	0.749	4	122.2455	0.561	4	122.2455	0.561	4	121.6376	2.269	5	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:3:	C[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]C[6]N)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a]){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]N){1|N<2>,1|S<2>,2|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	124.8615	1.597	6	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:3:	N[6,6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a])	S[6](C[6]C[6,6]HH)(C[6]N[6,6]N)	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a]){2|C<4>,6|H<1>}	S[6](C[6]C[6,6]HH)(C[6]N[6,6]N){1|H<1>,3|C<4>}	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	125.0245	0.828	2	125.0245	0.686	2	125.0245	0.686	2	124.8615	1.597	6	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C-3:	C[6](N[6]N[6]H)(S[6]C[6])(NC)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(CCO)	C[6](N[6]N[6]H)(S[6]C[6])(NC){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6]N[6]S[6])(CCO)	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	124.8615	1.597	6	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]){1|C<4>,1|O<1>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	123.1790	0.000	1	123.1790	0.000	1	123.1790	0.000	1	124.8615	1.597	6	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]N[6]N)	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	125.6540	0.000	1	125.6540	0.000	1	125.6540	0.000	1	124.8615	1.597	6	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:4:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	N(C[6]N[6]S[6])(CCCH)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){2|H<1>,4|C<3>}	N(C[6]N[6]S[6])(CCCH)	122.3250	0.000	1	122.3250	0.000	1	122.3763	0.683	3	122.3763	0.683	3	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:4:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	N(C[6]N[6]S[6])(CCHH)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){2|H<1>,4|C<3>}	N(C[6]N[6]S[6])(CCHH)	121.5770	0.000	1	121.5770	0.000	1	122.3763	0.683	3	122.3763	0.683	3	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:2:	4:3:	3:4:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	N(C[6]N[6]S[6])(CC[6a]HH)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){2|H<1>,4|C<3>}	N(C[6]N[6]S[6])(CC[6a]HH)	123.2270	0.000	1	123.2270	0.000	1	122.3763	0.683	3	122.3763	0.683	3	121.4000	10.835	36	121.4000	10.835	36
762	286	941	0:SP2_SP2_SP2	C[6]	S[6]	N	4:2:2:	3:3:	3:3:	C[6]-4:S[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]N)(C[6]O[6]C)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a]){1|O<1>,1|O<2>,3|C<3>}	S[6](C[6]C[6]N)(C[6]O[6]C){1|C<4>,2|C<3>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	121.4000	10.835	36	121.4000	10.835	36
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	2:3:1:	3:3:	3:	S[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](S[6]C[5,6])(C[6]C[6]H)(H)	S[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](S[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	S[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]S[6])	116.2375	1.068	2	116.2375	1.142	2	113.5033	8.460	12	113.6516	9.245	14	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	2:3:1:	3:3:	3:	S[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](S[6]C[5,6])(C[6]S[6]H)(H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](S[6]C[5,6])(C[6]S[6]H)(H){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,1|H<1>,2|S<2>}	H(C[6]C[6]S[6])	112.9565	2.867	10	112.9565	8.220	10	113.5033	8.460	12	113.6516	9.245	14	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	2:3:1:	3:3:	3:	S[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](S[6]C[5a,6])(C[6]C[6]H)(H)	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](S[6]C[5a,6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]S[6])	118.0960	0.000	1	118.0960	0.000	1	114.5415	25.269	2	113.6516	9.245	14	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	2:3:1:	3:3:	3:	S[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](S[6]C[5a,6])(C[6]S[6]C)(H)	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](S[6]C[5a,6])(C[6]S[6]C)(H){2|C<3>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,2|S<2>}	H(C[6]C[6]S[6])	110.9870	0.000	1	110.9870	0.000	1	114.5415	25.269	2	113.6516	9.245	14	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	2:3:1:	6:3:	3:	S[6]-2:C[6]-3:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:	C[6]-3:	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H)	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H){1|C<6>,4|B<6>}	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H){1|C<3>,1|S<2>,4|H<1>,5|B<6>}	H(C[6]C[6]S[6])	114.5630	0.000	2	114.5630	0.000	2	114.5630	0.000	2	114.5630	0.000	2	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:2:	3:	C[6]-3:S[6]-2:H-1:	C[6]-3:S[6]-2:	C[6]-3:	C[6](C[6]S[6]H)(S[6]S[6])(H)	S[6](C[6]C[6]H)(S[6]C[6])	H(C[6]C[6]S[6])	C[6](C[6]S[6]H)(S[6]S[6])(H){1|C<4>}	S[6](C[6]C[6]H)(S[6]C[6]){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6])	114.0320	0.000	1	114.0320	0.000	1	114.0320	0.000	1	114.0320	0.000	1	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[5,6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H)	S[6](C[6]C[5,6]H)(C[6]C[6]N)	H(C[6]C[5,6]S[6])	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	S[6](C[6]C[5,6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]S[6])	117.8370	0.085	2	117.8370	0.007	2	117.8370	0.007	2	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[5a,6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)	S[6](C[6]C[5a,6]H)(C[6]C[6]S)	H(C[6]C[5a,6]S[6])	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H){1|S<1>,1|S<4>,3|C<3>}	S[6](C[6]C[5a,6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[5a,6]S[6])	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]S[6])(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]C[6a]S[6])(S[6]C[5,6])(H){1|N<2>,1|S<2>,2|C<3>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){2|C<3>,2|S<2>}	H(C[6]C[6]S[6])	117.6490	0.000	1	117.6490	0.000	1	117.6490	0.000	1	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]C)(S[6]C[6,6a])(H)	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]C[6,6a]C)(S[6]C[6,6a])(H){3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H){2|C<4>,3|C<3>}	H(C[6]C[6]S[6])	116.7750	0.000	1	116.7750	0.000	1	117.2477	0.282	3	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H){1|C<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]S[6])	117.4840	0.478	2	117.4840	0.228	2	117.2477	0.282	3	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]C[6]H)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]S[6])	118.1943	0.151	3	117.9630	0.229	4	116.9227	3.106	9	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]C[6]H)(S[6]C[6])(H){1|S<2>,2|C<3>}	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]S[6])	117.2690	0.000	1	117.9630	0.229	4	116.9227	3.106	9	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]H)2	H(C[6]C[6]S[6])	C[6](C[6]C[6]H)(S[6]C[6])(H){1|H<1>,2|C<3>}	S[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]S[6])	115.5770	3.449	2	115.5770	11.897	2	116.9227	3.106	9	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]S[6])(S[6]C[6])(H)	S[6](C[6]C[6]H)2	H(C[6]C[6]S[6])	C[6](C[6]C[6a]S[6])(S[6]C[6])(H){1|H<1>,3|C<3>}	S[6](C[6]C[6]H)2{1|S<2>,2|C<3>}	H(C[6]C[6]S[6])	117.9760	0.000	1	117.9760	0.000	1	116.9227	3.106	9	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]S[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]Si)(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]S[6]H)(S[6]C[6])(H){1|Si<4>,1|C<3>,2|O<1>}	S[6](C[6]C[6]Si)(C[6]C[6]H){1|S<4>,2|H<1>}	H(C[6]C[6]S[6])	115.6610	0.129	2	115.6610	0.017	2	116.9227	3.106	9	117.2926	2.097	16	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	4:3:	3:	C[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]N[5a,6]C[6a])(S[6]C[6])(H)	S[6](C[6]C[5a,6]HH)(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]N[5a,6]C[6a])(S[6]C[6])(H){2|H<1>,4|C<3>}	S[6](C[6]C[5a,6]HH)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>}	H(C[6]C[6]S[6])	117.6300	0.000	1	117.6300	0.000	1	113.5407	22.865	3	113.5407	22.865	3	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	4:3:	3:	C[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(S[6]C[6])(H)	S[6](C[6]C[6a]C[6]H)(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]N[6]C)(S[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]S[6])	114.7090	0.000	1	114.7090	0.000	1	113.5407	22.865	3	113.5407	22.865	3	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	3:2:1:	4:3:	3:	C[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]S[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]S[6]H)(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]S[6]H)(S[6]C[6])(H){1|C<4>,1|H<1>,1|S<2>}	S[6](C[6]C[6]S[6]H)(C[6]C[6]H){2|H<1>,3|S<2>}	H(C[6]C[6]S[6])	108.2830	0.000	1	108.2830	0.000	1	113.5407	22.865	3	113.5407	22.865	3	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	4:2:1:	3:3:	3:	C[6]-4:S[6]-2:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]S[6]CH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	H(C[6]C[6]S[6])	110.1810	0.000	1	110.1810	0.000	1	103.4903	269.169	3	103.4903	269.169	3	114.4117	32.550	39	114.4117	32.550	39
762	286	951	0:SP2_SP-NON_SP2	C[6]	S[6]	H	4:2:1:	3:3:	3:	C[6]-4:S[6]-2:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	H(C[6]C[6]S[6])	C[6](C[6]S[6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	H(C[6]C[6]S[6])	100.1449	21.707	2	100.1449	471.190	2	103.4903	269.169	3	103.4903	269.169	3	114.4117	32.550	39	114.4117	32.550	39
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	3:3:	3:3:1:	N[6]-2:S[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){3|C<3>}	S[6](C[6]C[6,6a]C)(C[6]N[6]N){2|C<3>}	N(C[6]N[6]S[6])(CC[6a]O)(H)	113.9210	0.000	1	113.9210	0.000	1	113.9210	0.000	1	113.9210	0.000	1	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	3:3:	3:4:4:	N[6]-2:S[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](N[6]C[6,6a])(S[6]C[6])(NCC)	S[6](C[6]C[6,6a]N)(C[6]N[6]N)	N(C[6]N[6]S[6])(CCHH)2	C[6](N[6]C[6,6a])(S[6]C[6])(NCC){1|N<2>,2|C<3>}	S[6](C[6]C[6,6a]N)(C[6]N[6]N){2|C<3>}	N(C[6]N[6]S[6])(CCHH)2	113.5150	0.000	1	113.5150	0.000	1	113.5150	0.000	1	113.5150	0.000	1	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:1:1:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]C[6]CH)(C[6]N[6]N)	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<3>,1|H<1>,3|C<4>}	S[6](C[6]C[6]CH)(C[6]N[6]N){1|C<4>,2|H<1>}	N(C[6]N[6]S[6])(H)2	111.4705	0.450	2	111.4705	0.203	2	113.4720	5.727	4	113.4720	5.727	4	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:1:1:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){4|C<3>}	N(C[6]N[6]S[6])(H)2	116.1640	0.000	1	116.1640	0.000	1	113.4720	5.727	4	113.4720	5.727	4	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:1:1:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]S[6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH){1|N<2>,1|S<2>,2|H<1>}	S[6](C[6]S[6]HH)(C[6]N[6]N){1|C<3>}	N(C[6]N[6]S[6])(H)2	114.7830	0.000	1	114.7830	0.000	1	113.4720	5.727	4	113.4720	5.727	4	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:3:1:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]C[5,6])(S[6]C[6])(NCH)	S[6](C[6]C[5,6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[6](C[6]C[5,6]HH)(C[6]N[6]N){1|H<1>,2|C<4>}	N(C[6]N[6]S[6])(COO)(H)	115.7615	0.004	2	115.7615	0.000	2	117.2876	2.141	7	114.3170	18.283	11	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:3:1:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	S[6](C[6]C[6,6a]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){2|C<3>,2|H<1>}	S[6](C[6]C[6,6a]HH)(C[6]N[6]N){2|C<3>}	N(C[6]N[6]S[6])(CC[6a]O)(H)	117.0870	0.194	2	117.0870	0.038	2	117.2876	2.141	7	114.3170	18.283	11	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:3:1:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]N[6])(S[6]C[6])(NCH)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(CCO)(H)	C[6](N[6]N[6])(S[6]C[6])(NCH){1|C<3>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|N<2>}	N(C[6]N[6]S[6])(CCO)(H)	118.4387	1.431	3	118.4387	2.047	3	117.2876	2.141	7	114.3170	18.283	11	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:3:1:	S[6]-2:N[6]-2:N-3:	C[6,6]-4:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H)	S[6](C[6,6]C[6]3)(C[6]N[6]N)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H){2|H<1>,3|C<4>}	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,6|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	109.1185	0.194	4	109.1185	0.038	4	109.1185	0.038	4	114.3170	18.283	11	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:3:4:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C-4:	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C)	S[6](C[6]N[6]CC)(C[6]N[6]N)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C){1|N<3>,1|S<1>,2|C<4>}	S[6](C[6]N[6]CC)(C[6]N[6]N){1|C<3>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	115.4455	0.342	2	115.4455	0.117	2	115.4455	0.117	2	113.3187	13.629	3	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:3:4:	S[6]-2:N[6]-2:N-3:	C[6,6]-4:C[6]-3:	C[6]-3:C[6a]-3:S-4:	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S)	S[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]N)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(SC[6a]OO)	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S){1|C<3>,2|C<4>,2|H<1>}	S[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]N){2|C<3>,3|C<4>,3|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(SC[6a]OO)	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	113.3187	13.629	3	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:2:3:	4:3:	3:4:1:	N[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H)	S[6](C[6]N[5,6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H){2|H<1>,2|N<3>}	S[6](C[6]N[5,6]HH)(C[6]N[6]N){2|C<3>}	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	2:3:3:	4:3:	3:3:1:	S[6]-2:C[6]-3:N-3:	C[4,6]-4:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H)	S[6](C[4,6]C[4]2N[6])(C[6]C[6]N)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H){1|N<3>,1|O<1>,2|C<4>}	S[6](C[4,6]C[4]2N[6])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:3:	3:3:	3:3:1:	C[6]-3:S[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H)	S[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H){1|S<1>,2|C<3>}	S[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,1|N<3>,1|O<2>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:3:	4:3:	3:1:1:	C[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	S[6](C[6]C[6]HH)(C[6]C[6]N)	N(C[6]C[6]S[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>}	N(C[6]C[6]S[6])(H)2	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	115.0910	3.424	4	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:3:	4:3:	3:1:1:	N[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(NHH)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6]H)(S[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6]N[6]S[6])(H)2	116.0053	0.347	3	116.0053	0.120	3	116.0053	0.120	3	115.0910	3.424	4	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:3:	4:3:	3:3:1:	N[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H)	S[6](C[6]C[6]HH)(C[6]N[6]N)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<4>,3|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	115.2377	0.751	3	115.2377	0.565	3	115.2377	0.565	3	115.2377	0.565	3	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:3:	4:3:	3:4:1:	C[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(S[6]C[6])(NCH)	S[6](C[6]N[6]CC)(C[6]C[6]N)	N(C[6]C[6]S[6])(CCCH)(H)	C[6](C[6]C[6]C)(S[6]C[6])(NCH){1|N<3>,1|O<1>,2|C<4>}	S[6](C[6]N[6]CC)(C[6]C[6]N){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]S[6])(CCCH)(H)	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP2	C[6]	S[6]	N	3:2:3:	4:3:	3:4:4:	N[6]-3:S[6]-2:N-3:	Ga[6]-4:C[6]-3:	C[6]-3:C-4:C-4:	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC)	S[6](Ga[6]C[6]CC)(C[6]N[6]N)	N(C[6]N[6]S[6])(CCHH)2	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC){1|C<2>,1|N<3>,2|C<4>,3|C<3>}	S[6](Ga[6]C[6]CC)(C[6]N[6]N){1|Ge<4>,2|C<3>}	N(C[6]N[6]S[6])(CCHH)2	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	114.5742	8.869	32	114.5742	8.869	32
762	286	956	0:SP2_SP2_SP3	C[6]	S[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:S[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	S[6](C[6]C[6]N)(C[6]C[6]S)	N(C[6]C[6]S[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|H<1>,1|S<2>,2|C<3>}	S[6](C[6]C[6]N)(C[6]C[6]S){1|C<2>,1|C<3>,1|C<4>}	N(C[6]C[6]S[6])(H)2	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1
762	286	975	6:SP2_SP2_SP3	C[6]	S[6]	Se[6]	2:2:3:	3:3:	4:3:	S[6]-2:Se[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6,6a])(Se[6]C[6])(CSiC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C)	Se[6](C[6]C[6,6a]HH)(C[6]S[6]C)	C[6](S[6]C[6,6a])(Se[6]C[6])(CSiC){2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C){1|C<4>,1|H<1>,2|C<3>}	Se[6](C[6]C[6,6a]HH)(C[6]S[6]C){2|C<3>}	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	2:2:1:	3:3:	3:	N[6]-2:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](N[6]C[5,6])(S[6]C[6])(S){1|N<2>,1|N<3>,1|S<1>}	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	S(C[6]N[6]S[6])	112.9490	0.000	1	114.3323	1.435	3	114.5560	1.157	4	114.5560	1.157	4	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	2:2:1:	3:3:	3:	N[6]-2:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](N[6]C[5,6])(S[6]C[6])(S){1|S<1>,2|N<3>}	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	S(C[6]N[6]S[6])	115.0240	0.000	2	114.3323	1.435	3	114.5560	1.157	4	114.5560	1.157	4	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	2:2:1:	3:3:	3:	N[6]-2:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](N[6]C[6])(S[6]C[6])(S){3|C<3>}	S[6](C[6]C[6a]C[6])(C[6]N[6]S){1|H<1>,3|C<3>}	S(C[6]N[6]S[6])	115.2270	0.000	1	115.2270	0.000	1	114.5560	1.157	4	114.5560	1.157	4	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	2:2:1:	4:3:	3:	O[6]-2:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]C[5,6]HH)(C[6]O[6]S)	S(C[6]O[6]S[6])	C[6](O[6]C[5,6])(S[6]C[6])(S){2|C<4>,3|H<1>}	S[6](C[6]C[5,6]HH)(C[6]O[6]S){1|C<4>,1|H<1>,1|O<2>}	S(C[6]O[6]S[6])	116.4400	0.281	3	116.4400	0.079	3	116.4400	0.079	3	116.6001	2.342	11	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	2:2:1:	4:3:	3:	S[6]-2:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](S[6]C[6])2(S)	S[6](C[6]C[6]HH)(C[6]S[6]S)	S(C[6]S[6]2)	C[6](S[6]C[6])2(S){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6]S[6]2)	116.9875	0.480	4	116.6601	3.307	8	116.6601	3.307	8	116.6001	2.342	11	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	2:2:1:	4:3:	3:	S[6]-2:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](S[6]C[6])2(S)	S[6](C[6]C[6]HH)(C[6]S[6]S)	S(C[6]S[6]2)	C[6](S[6]C[6])2(S){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>}	S(C[6]S[6]2)	116.3328	2.683	4	116.6601	3.307	8	116.6601	3.307	8	116.6001	2.342	11	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	2:3:1:	3:3:	3:	S[6]-2:C[6]-3:S-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](S[6]C[6,6a])(C[6]C[6]H)(S)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	S(C[6]C[6]S[6])	C[6](S[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	S(C[6]C[6]S[6])	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	116.4015	1.643	2	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	2:3:1:	3:3:	3:	S[6]-2:N[6]-3:S-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](S[6]C[6,6a])(N[6]C[6]C)(S)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](S[6]C[6,6a])(N[6]C[6]C)(S){2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	S(C[6]N[6]S[6])	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	116.4015	1.643	2	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	3:3:	3:	C[6,6a]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	S[6](C[6]C[5]N[6])(C[6]C[6,6a]S)	S(C[6]C[6,6a]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[6](C[6]C[5]N[6])(C[6]C[6,6a]S){1|Fe<10>,2|C<3>,2|C<4>}	S(C[6]C[6,6a]S[6])	114.9700	0.000	1	114.9700	0.000	1	114.0883	0.784	3	115.6622	6.790	9	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	3:3:	3:	C[6,6a]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	S[6](C[6]C[6,6a]S)(C[6]N[6]S)	S(C[6]C[6,6a]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	S[6](C[6]C[6,6a]S)(C[6]N[6]S){1|H<1>,2|C<3>}	S(C[6]C[6,6a]S[6])	113.1990	0.000	1	113.1990	0.000	1	114.0883	0.784	3	115.6622	6.790	9	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	3:3:	3:	C[6,6a]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S)	S(C[6]C[6,6a]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S){1|H<1>,4|C<3>}	S(C[6]C[6,6a]S[6])	114.0960	0.000	1	114.0960	0.000	1	114.0883	0.784	3	115.6622	6.790	9	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	3:3:	3:	C[6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6]C)(S[6]C[6])(S)	S[6](C[6]C[5a,6]H)(C[6]C[6]S)	S(C[6]C[6]S[6])	C[6](C[6]C[5a,6]C)(S[6]C[6])(S){1|H<1>,2|C<3>}	S[6](C[6]C[5a,6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|N<3>}	S(C[6]C[6]S[6])	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	115.6622	6.790	9	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	3:3:	3:	N[5,6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S)	S(C[6]N[5,6]S[6])	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S){1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	S(C[6]N[5,6]S[6])	118.9800	0.000	2	118.7527	0.155	3	118.7527	0.155	3	115.6622	6.790	9	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	3:3:	3:	N[5,6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S)	S(C[6]N[5,6]S[6])	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S){1|C<4>,1|S<1>,2|H<1>,2|N<2>}	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	S(C[6]N[5,6]S[6])	118.2980	0.000	1	118.7527	0.155	3	118.7527	0.155	3	115.6622	6.790	9	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	3:3:	3:	N[6,6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S)	S(C[6]N[6,6]S[6])	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S){1|C<4>,3|C<3>,3|H<1>}	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S){2|C<4>,3|C<3>}	S(C[6]N[6,6]S[6])	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	115.6622	6.790	9	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	3:3:	3:	N[6]-3:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]H)(S[6]C[6])(S)	S[6](C[6]C[6,6a]S)(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](N[6]C[6,6a]H)(S[6]C[6])(S){1|S<1>,2|C<3>}	S[6](C[6]C[6,6a]S)(C[6]N[6]S){1|H<1>,2|C<3>}	S(C[6]N[6]S[6])	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	115.6622	6.790	9	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	4:3:	3:	C[5a,6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S)	S[6](C[6]C[6a]S[6]O)(C[6]C[5a,6]S)	S(C[6]C[5a,6]S[6])	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	S[6](C[6]C[6a]S[6]O)(C[6]C[5a,6]S){1|N<3>,3|C<3>}	S(C[6]C[5a,6]S[6])	113.3475	0.043	2	113.3475	0.002	2	113.3475	0.002	2	113.0427	1.065	8	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	4:3:	3:	N[6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6]C)(S[6]C[6])(S)	S[6](C[6]C[6]HH)(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](N[6]C[6]C)(S[6]C[6])(S){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]S){2|C<4>,2|H<1>}	S(C[6]N[6]S[6])	112.0603	0.221	3	112.0603	0.049	3	112.9412	1.442	6	113.0427	1.065	8	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	4:3:	3:	N[6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6]C)(S[6]C[6])(S)	S[6](C[6]N[6]HH)(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](N[6]C[6]C)(S[6]C[6])(S){1|N<3>,4|H<1>}	S[6](C[6]N[6]HH)(C[6]N[6]S){3|C<4>}	S(C[6]N[6]S[6])	112.9240	0.000	1	112.9240	0.000	1	112.9412	1.442	6	113.0427	1.065	8	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	4:3:	3:	N[6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6]N)(S[6]C[6])(S)	S[6](C[6]C[6]HH)(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](N[6]C[6]N)(S[6]C[6])(S){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]N[6]S){1|C<4>,1|N<3>,2|H<1>}	S(C[6]N[6]S[6])	115.0600	0.000	1	115.0600	0.000	1	112.9412	1.442	6	113.0427	1.065	8	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	3:2:1:	4:3:	3:	N[6]-3:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(S[6]C[6])(S)	S[6](C[6]N[6]HH)(C[6]N[6]S)	S(C[6]N[6]S[6])	C[6](N[6]C[6a]C[6])(S[6]C[6])(S){1|N<3>,2|C<3>,4|H<1>}	S[6](C[6]N[6]HH)(C[6]N[6]S){1|C<3>,2|C<4>}	S(C[6]N[6]S[6])	113.4820	0.000	1	113.4820	0.000	1	112.9412	1.442	6	113.0427	1.065	8	115.3385	4.773	35	115.3385	4.773	35
762	286	977	0:SP2_SP-NON_SP2	C[6]	S[6]	S	4:2:1:	3:3:	3:	C[6]-4:S[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S)	S[6](C[6]C[6]S)(C[6]O[6]C)	S(C[6]C[6]S[6])	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S){1|O<1>,1|O<2>,3|C<3>}	S[6](C[6]C[6]S)(C[6]O[6]C){1|C<4>,2|C<3>}	S(C[6]C[6]S[6])	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	115.3385	4.773	35	115.3385	4.773	35
762	286	983	0:SP2_SP1_SP2	C[6]	S[6]	C	2:2:2:	2:3:	3:1:	N[6]-2:S[6]-2:C-2:	S[6]-2:C[6]-3:	C[6]-3:N-1:	C[6](N[6]C[5a,6])(S[6]S[6])(CN)	S[6](S[6]C[5a,6])(C[6]N[6]C)	C(C[6]N[6]S[6])(N)	C[6](N[6]C[5a,6])(S[6]S[6])(CN){1|C<3>,1|N<3>}	S[6](S[6]C[5a,6])(C[6]N[6]C){2|C<3>}	C(C[6]N[6]S[6])(N)	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1
762	286	992	0:SP2_SP2_SP3	C[6]	S[6]	P	4:4:2:	3:3:	3:3:3:1:	P[6]-4:P-4:S[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:S-1:	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6])	S[6](C[6]P[6]P)2	P(C[6]P[6]S[6])(C[6a]C[6a]2)2(S)	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6]){2|P<4>,4|C<3>}	S[6](C[6]P[6]P)2{1|S<2>,4|C<3>}	P(C[6]P[6]S[6])(C[6a]C[6a]2)2(S)	122.7370	0.771	2	122.7370	0.594	2	122.7370	0.594	2	122.7370	0.594	2	122.7370	0.594	2	122.7370	0.594	2
762	310	762	0:SP2_SP2_SP3	C[6]	Ge	C[6]	4:3:3:	3:3:3:4:	3:2:1:	Ge-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:Ge-4:	C[6]-3:C[6]-2:H-1:	C[6](GeC[6]2Ge)(C[6]C[6]H)2	Ge(C[6]C[6]2)3(GeC3)	C[6](C[6]C[6]Ge)(C[6]C[6])(H)	C[6](GeC[6]2Ge)(C[6]C[6]H)2{1|C<3>,1|H<1>}	Ge(C[6]C[6]2)3(GeC3)	C[6](C[6]C[6]Ge)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	120.8805	0.273	2	120.8805	0.273	2
762	310	762	0:SP2_SP2_SP3	C[6]	Ge	C[6]	4:3:3:	3:3:3:4:	3:3:1:	Ge-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:Ge-4:	C[6]-3:C[6]-3:H-1:	C[6](GeC[6]2Ge)(C[6]C[6]H)2	Ge(C[6]C[6]2)3(GeC3)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](GeC[6]2Ge)(C[6]C[6]H)2{1|C<3>,1|H<1>}	Ge(C[6]C[6]2)3(GeC3)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	120.8805	0.273	2	120.8805	0.273	2
762	314	849	6:SP2_SP1_SP3	C[6]	Ge[6]	P[6]	4:2:4:	4:3:	4:3:3:3:	P[6]-4:Ge[6]-2:P-4:	P[6]-4:C[6]-3:	Ge[5,5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[6](P[6]Ge[5,5,6]C[6a]2)(Ge[6]P[6])(PC[6a]2N)	Ge[6](P[6]C[5,6]C[6a]2)(C[6]P[6]P)	P[6](Ge[5,5,6]Ge[5,5]C[5,6]C[5])(C[6a]C[6a]2)2(C[6]Ge[6]P)	C[6](P[6]Ge[5,5,6]C[6a]2)(Ge[6]P[6])(PC[6a]2N){1|Ge<3>,8|C<3>}	Ge[6](P[6]C[5,6]C[6a]2)(C[6]P[6]P){1|Ge<4>,1|P<4>,6|C<3>}	P[6](Ge[5,5,6]Ge[5,5]C[5,6]C[5])(C[6a]C[6a]2)2(C[6]Ge[6]P){1|P<3>,2|N<3>,3|P<4>,4|C<3>,4|H<1>}	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1
762	314	917	6:SP2_SP1_SP3	C[6]	Ge[6]	P[4,6]	4:2:3:	3:3:	3:3:3:3:	P[4,6]-4:Ge[6]-2:P-3:	N[6]-3:C[6]-3:	C[5,6,6]-3:C[6]-3:N[4]-3:N[4]-3:	C[6](P[4,6]C[5,6,6]N[4]2)(Ge[6]N[6])(PNN)	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[4,6]P)	P[4,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]Ge[6]P)(N[4]Si[4]C)2	C[6](P[4,6]C[5,6,6]N[4]2)(Ge[6]N[6])(PNN){1|Si<4>,2|C<3>,3|C<4>}	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[4,6]P){1|C<4>,2|N<3>,3|C<3>}	P[4,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]Ge[6]P)(N[4]Si[4]C)2{1|H<1>,1|N<3>,5|C<4>}	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1
762	314	945	0:SP2_SP1_SP3	C[6]	Ge[6]	P	4:2:3:	3:3:	3:3:3:	P[4,6]-4:Ge[6]-2:P-3:	N[6]-3:C[6]-3:	C[6]-3:N-3:N-3:	C[6](P[4,6]C[5,6,6]N[4]2)(Ge[6]N[6])(PNN)	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[4,6]P)	P(C[6]P[4,6]Ge[6])(NCC)2	C[6](P[4,6]C[5,6,6]N[4]2)(Ge[6]N[6])(PNN){1|Si<4>,2|C<3>,3|C<4>}	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[4,6]P){1|C<4>,2|N<3>,3|C<3>}	P(C[6]P[4,6]Ge[6])(NCC)2	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	120.9410	9.964	2	120.9410	9.964	2	120.9410	9.964	2
762	314	945	0:SP2_SP1_SP3	C[6]	Ge[6]	P	4:2:3:	3:3:	3:3:3:	P[5,6]-4:Ge[6]-2:P-3:	N[6]-3:C[6]-3:	C[6]-3:N-3:N-3:	C[6](P[5,6]C[5,6,6]N[5]2)(Ge[6]N[6])(PNN)	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[5,6]P)	P(C[6]P[5,6]Ge[6])(NCC)2	C[6](P[5,6]C[5,6,6]N[5]2)(Ge[6]N[6])(PNN){2|C<3>,5|C<4>}	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[5,6]P){1|C<4>,2|N<3>,3|C<3>}	P(C[6]P[5,6]Ge[6])(NCC)2	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	120.9410	9.964	2	120.9410	9.964	2	120.9410	9.964	2
762	314	955	6:SP2_SP1_SP3	C[6]	Ge[6]	P[5,6]	4:2:3:	3:3:	3:3:3:3:	P[5,6]-4:Ge[6]-2:P-3:	N[6]-3:C[6]-3:	C[5,6,6]-3:C[6]-3:N[5]-3:N[5]-3:	C[6](P[5,6]C[5,6,6]N[5]2)(Ge[6]N[6])(PNN)	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[5,6]P)	P[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]Ge[6]P)(N[5]C[5]C)2	C[6](P[5,6]C[5,6,6]N[5]2)(Ge[6]N[6])(PNN){2|C<3>,5|C<4>}	Ge[6](N[6]C[5,6,6]C[6a])(C[6]P[5,6]P){1|C<4>,2|N<3>,3|C<3>}	P[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]Ge[6]P)(N[5]C[5]C)2{1|N<3>,3|C<4>,5|H<1>}	125.7870	0.000	1	125.7870	0.000	1	125.7870	0.000	1	125.7870	0.000	1	125.7870	0.000	1	125.7870	0.000	1
762	314	992	0:SP2_SP1_SP3	C[6]	Ge[6]	P	4:2:4:	4:3:	3:3:3:2:	P[6]-4:Ge[6]-2:P-4:	P[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:N-2:	C[6](P[6]Ge[5,5,6]C[6a]2)(Ge[6]P[6])(PC[6a]2N)	Ge[6](P[6]C[5,6]C[6a]2)(C[6]P[6]P)	P(C[6]Ge[6]P[6])(C[6a]C[6a]2)2(NSi)	C[6](P[6]Ge[5,5,6]C[6a]2)(Ge[6]P[6])(PC[6a]2N){1|Ge<3>,8|C<3>}	Ge[6](P[6]C[5,6]C[6a]2)(C[6]P[6]P){1|Ge<4>,1|P<4>,6|C<3>}	P(C[6]Ge[6]P[6])(C[6a]C[6a]2)2(NSi)	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:1:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,3|C<3>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(H)3	115.4490	0.000	1	115.4490	0.000	1	115.4490	0.000	1	115.4490	0.000	1	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:3:1:1:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6a]HH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C){1|B<6>,1|C<3>,1|C<4>,7|H<1>}	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	118.1390	0.000	1	118.1390	0.000	1	118.1390	0.000	1	118.1390	0.000	1	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C)	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CCHH){1|C<3>,3|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C){1|B<6>,1|C<3>,1|C<4>,7|H<1>}	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	116.7155	0.477	2	116.7155	0.228	2	116.7155	0.228	2	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6]HH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6]HH){1|C<3>,2|C<4>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C){1|B<6>,1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	115.0500	0.000	1	115.0500	0.000	1	115.8012	0.447	12	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,2|H<1>,3|F<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	115.8255	0.561	2	115.7843	0.390	10	115.8012	0.447	12	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	116.0133	0.122	3	115.7843	0.390	10	115.8012	0.447	12	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	116.0090	0.000	1	115.7843	0.390	10	115.8012	0.447	12	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|Si<4>,1|B<6>,1|C<3>,1|C<4>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	116.3860	0.000	1	115.7843	0.390	10	115.8012	0.447	12	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,2|C<4>,7|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	114.7675	0.573	2	115.7843	0.390	10	115.8012	0.447	12	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|Si<4>,1|B<6>,1|C<3>,1|C<4>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	116.2220	0.000	1	115.7843	0.390	10	115.8012	0.447	12	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,3|C<3>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	116.7220	0.000	1	116.7220	0.000	1	115.8012	0.447	12	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.0393	0.607	16	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:4:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	121.2170	0.000	1	121.2170	0.000	1	121.7083	0.201	3	121.7083	0.201	3	116.9210	4.718	21	116.9210	4.718	21
762	362	490	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:4:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,7|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	121.9540	0.199	2	121.9540	0.040	2	121.7083	0.201	3	121.7083	0.201	3	116.9210	4.718	21	116.9210	4.718	21
762	362	622	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	O[6]	6:2:1:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,21x6]-6:O[6]-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(O[6]C[6])(O)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]O[6]O)	O[6](C[6]C[5x3,5x5,21x6]O)(C[6]C[6a]C[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(O[6]C[6])(O){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]O[6]O){1|B<6>,1|C<3>,1|C<4>,5|H<1>}	O[6](C[6]C[5x3,5x5,21x6]O)(C[6]C[6a]C[6]){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1
762	362	643	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6])	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	116.0100	0.000	1	116.2262	0.305	4	116.2262	0.305	4	115.9458	0.474	6	115.9458	0.474	6	115.9458	0.474	6
762	362	643	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6])	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6]){1|B<6>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|C<4>,2|H<1>,4|B<6>}	115.5930	0.000	1	116.2262	0.305	4	116.2262	0.305	4	115.9458	0.474	6	115.9458	0.474	6	115.9458	0.474	6
762	362	643	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6])	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	116.6510	0.328	2	116.2262	0.305	4	116.2262	0.305	4	115.9458	0.474	6	115.9458	0.474	6	115.9458	0.474	6
762	362	643	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6a]C[6])	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6a]C[6]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	115.3850	0.716	2	115.3850	0.512	2	115.3850	0.512	2	115.9458	0.474	6	115.9458	0.474	6	115.9458	0.474	6
762	362	762	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:5:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-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]-5:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]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]4)(C[6]C[6]2)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|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]4)(C[6]C[6]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,1|N<3>,4|B<6>}	124.2610	0.000	1	124.2610	0.000	1	124.2610	0.000	1	121.4735	15.540	2	121.7311	6.376	8	121.7311	6.376	8
762	362	762	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:5:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-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]-5:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]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]4)(C[6]C[6]2)	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|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]4)(C[6]C[6]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H){1|C<5>,1|H<1>,2|C<3>,4|B<6>}	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	121.4735	15.540	2	121.7311	6.376	8	121.7311	6.376	8
762	362	762	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-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[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]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)(C[6]C[6]2)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|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]4C)(C[6]C[6]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	124.0140	0.000	1	124.0140	0.000	1	122.7530	3.180	2	121.2012	4.384	5	121.7311	6.376	8	121.7311	6.376	8
762	362	762	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-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[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]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)(C[6]C[6]2)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|B<6>,6|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)(C[6]C[6]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	121.4920	0.000	1	121.4920	0.000	1	122.7530	3.180	2	121.2012	4.384	5	121.7311	6.376	8	121.7311	6.376	8
762	362	762	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-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[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]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)(C[6]C[6]2)	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|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]4C)(C[6]C[6]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	118.3150	0.000	1	118.3150	0.000	1	119.3185	2.014	2	121.2012	4.384	5	121.7311	6.376	8	121.7311	6.376	8
762	362	762	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-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[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]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)(C[6]C[6]2)	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|B<6>,6|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)(C[6]C[6]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	120.3220	0.000	1	120.3220	0.000	1	119.3185	2.014	2	121.2012	4.384	5	121.7311	6.376	8	121.7311	6.376	8
762	362	762	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N[6]-3:C[6]-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[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6]C[6]Ir)(C[6]C[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]4Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]N[6])	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,5|B<6>,6|H<1>}	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]4Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]N[6]){1|B<6>,2|C<3>,6|H<1>}	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	121.2012	4.384	5	121.7311	6.376	8	121.7311	6.376	8
762	362	762	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6]-3:N[6]-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[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6a]C[6])(N[6]C[6]Pt)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Pt)(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)(C[6]C[6]N[6])	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,4|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Pt)(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)(C[6]C[6]N[6]){1|B<6>,3|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Pt<4>,1|C<6>,3|C<3>,3|H<1>,4|B<6>}	124.8960	0.000	1	124.8960	0.000	1	124.8960	0.000	1	124.8960	0.000	1	121.7311	6.376	8	121.7311	6.376	8
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:1:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6,6a]-3:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]H)(H)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]H)(H){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]H){1|B<6>,2|C<3>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	122.8380	0.656	2	122.8380	0.431	2	122.8380	0.431	2	122.8380	0.431	2	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:1:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6,6a]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]H){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	124.8660	0.000	1	124.8660	0.000	1	124.8660	0.000	1	123.2383	2.061	3	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:1:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(H){1|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]H){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3){1|C<4>,1|C<6>,4|B<6>}	122.4245	0.384	2	122.4245	0.147	2	122.4245	0.147	2	123.2383	2.061	3	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6])	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	121.0760	0.000	1	121.0760	0.000	1	120.9687	0.013	3	121.5032	0.545	5	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6])	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	120.9150	0.096	2	120.9150	0.009	2	120.9687	0.013	3	121.5032	0.545	5	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6a]C[6])	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6a]C[6]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	122.3050	0.102	2	122.3050	0.010	2	122.3050	0.010	2	121.5032	0.545	5	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6])	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6a]C[6]){1|B<6>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<6>,1|N<2>,2|H<1>,3|C<3>,4|B<6>}	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,7|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H){1|C<6>,1|H<1>,4|B<6>}	117.9890	0.033	2	117.9890	0.001	2	117.9890	0.001	2	117.9890	0.001	2	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,3|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	120.3520	0.000	1	120.3520	0.000	1	120.5890	0.112	2	119.6133	2.912	3	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,3|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	120.8260	0.000	1	120.8260	0.000	1	120.5890	0.112	2	119.6133	2.912	3	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6]-3:Si-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(SiC3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]Si)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(SiC3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]Si){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	119.6133	2.912	3	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6,6a]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	121.2780	0.000	1	121.2780	0.000	1	121.2780	0.000	1	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	117.2390	0.000	1	117.2390	0.000	1	120.0413	1.264	9	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,2|H<1>,3|F<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	120.5770	0.320	2	120.3884	0.213	7	120.0413	1.264	9	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	120.1873	0.663	3	120.3884	0.213	7	120.0413	1.264	9	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	120.7000	0.000	1	120.3884	0.213	7	120.0413	1.264	9	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|Si<4>,1|B<6>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	120.3030	0.000	1	120.3884	0.213	7	120.0413	1.264	9	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|Si<4>,1|B<6>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH){1|Si<4>,1|C<6>,2|C<3>,4|B<6>}	120.4140	0.000	1	120.4140	0.000	1	120.0413	1.264	9	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:Si-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(SiC3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]Si)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(SiC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]Si){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	118.9330	0.000	1	118.9330	0.000	1	118.9330	0.000	1	120.1322	1.245	12	120.8046	2.858	30	120.8046	2.858	30
762	362	762	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,2|C<4>,7|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH){1|C<6>,2|H<1>,4|B<6>}	121.3115	0.374	2	121.3115	0.140	2	121.3115	0.140	2	121.3115	0.140	2	120.8046	2.858	30	120.8046	2.858	30
762	362	846	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[4,6]	6:3:4:	6:6:6:6:6:3:	3:4:3:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[4,6]-4:C[4,6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CCHH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C)	C[4,6](C[6]C[5x3,5x5,21x6]C)(C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CCHH){1|C<3>,3|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C){1|B<6>,1|C<3>,1|C<4>,7|H<1>}	C[4,6](C[6]C[5x3,5x5,21x6]C)(C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]){2|C<6>,2|H<1>,3|C<4>,4|B<6>}	118.0590	0.023	2	118.0590	0.001	2	117.5302	0.917	4	117.5302	0.917	4	117.5302	0.917	4	117.5302	0.917	4
762	362	846	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[4,6]	6:3:4:	6:6:6:6:6:3:	3:4:3:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[4,6]-4:C[4,6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6]HH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C)	C[4,6](C[6]C[5x3,5x5,21x6]C)(C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]C[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6]HH){1|C<3>,2|C<4>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C){1|B<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6](C[6]C[5x3,5x5,21x6]C)(C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]C[6]){1|H<1>,2|C<6>,4|B<6>,4|C<4>}	116.0980	0.000	1	116.0980	0.000	1	117.5302	0.917	4	117.5302	0.917	4	117.5302	0.917	4	117.5302	0.917	4
762	362	846	6:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	C[4,6]	6:3:4:	6:6:6:6:6:3:	3:4:3:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[4,6]-4:C[4,6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6a]HH)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C)	C[4,6](C[6]C[5x3,5x5,21x6]C)(C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[4,6]C){1|B<6>,1|C<3>,1|C<4>,7|H<1>}	C[4,6](C[6]C[5x3,5x5,21x6]C)(C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]){2|C<6>,2|H<1>,3|C<4>,4|B<6>}	117.9050	0.000	1	117.9050	0.000	1	117.5302	0.917	4	117.5302	0.917	4	117.5302	0.917	4	117.5302	0.917	4
762	362	863	0:SP2_SP2_SPD6	C[6]	C[5x3,5x5,21x6]	O	6:2:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,21x6]-6:O[6]-2:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(O[6]C[6])(O)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]O[6]O)	O(C[6]C[5x3,5x5,21x6]O[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(O[6]C[6])(O){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]O[6]O){1|B<6>,1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[5x3,5x5,21x6]O[6])	123.5400	0.000	1	123.5400	0.000	1	123.5400	0.000	1	123.5400	0.000	1	123.5400	0.000	1	123.5400	0.000	1
762	362	880	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	Si	6:3:4:	6:6:6:6:6:3:	3:4:4:4:	C[5x3,5x5,21x6]-6:C[6]-3:Si-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(SiC3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]Si)	Si(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(SiC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]Si){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	Si(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	120.9240	0.000	1	120.9240	0.000	1	120.2740	0.845	2	120.2740	0.845	2	120.2740	0.845	2	120.2740	0.845	2
762	362	880	0:SP2_SP3_SPD6	C[6]	C[5x3,5x5,21x6]	Si	6:3:4:	6:6:6:6:6:3:	3:4:4:4:	C[5x3,5x5,21x6]-6:C[6]-3:Si-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(SiC3)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]Si)	Si(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(SiC3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]Si){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	Si(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	119.6240	0.000	1	119.6240	0.000	1	120.2740	0.845	2	120.2740	0.845	2	120.2740	0.845	2	120.2740	0.845	2
762	362	951	0:SP2_SP-NON_SPD6	C[6]	C[5x3,5x5,21x6]	H	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]H){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5x3,5x5,21x6]C[6])	117.5530	0.000	1	117.5530	0.000	1	118.3683	0.512	3	118.4558	0.300	5	118.4558	0.300	5	118.4558	0.300	5
762	362	951	0:SP2_SP-NON_SPD6	C[6]	C[5x3,5x5,21x6]	H	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(H){1|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]H){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5x3,5x5,21x6]C[6])	118.7760	0.161	2	118.7760	0.026	2	118.3683	0.512	3	118.4558	0.300	5	118.4558	0.300	5	118.4558	0.300	5
762	362	951	0:SP2_SP-NON_SPD6	C[6]	C[5x3,5x5,21x6]	H	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]H)(H)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]H)(H){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]H){1|B<6>,2|C<3>,6|H<1>}	H(C[6]C[5x3,5x5,21x6]C[6])	118.5870	0.348	2	118.5870	0.121	2	118.5870	0.121	2	118.4558	0.300	5	118.4558	0.300	5	118.4558	0.300	5
762	430	466	0:SP2_SP-NON_SP3	C[6,6]	Se	C[3x6]	3:4:1:	3:	4:4:3:4:	N[6,6]-3:C[3x6]-4:Se-1:	C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se)	Se(C[6,6]C[3x6]N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se){2|C<3>,3|H<1>,4|C<4>}	Se(C[6,6]C[3x6]N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3){1|C<3>,1|C<4>,4|H<1>}	124.9740	0.000	1	124.9740	0.000	1	124.9740	0.000	1	124.9740	0.000	1	124.9740	0.000	1	124.9740	0.000	1
762	430	643	0:SP2_SP-NON_SP2	C[6]	Se	C[6,6a]	3:3:1:	3:	3:3:3:	C[6,6a]-3:N[6]-3:Se-1:	C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se)	Se(C[6]C[6,6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Se)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se){2|H<1>,3|C<3>}	Se(C[6]C[6,6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Se){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1945	0.057	2	121.1945	0.003	2	121.1945	0.003	2	121.1945	0.003	2	121.1945	0.003	2	121.1945	0.003	2
762	430	762	0:SP2_SP-NON_SP2	C[6]	Se	C[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Se-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Se)	Se(C[6]C[6]N[6])	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	Se(C[6]C[6]N[6])	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	125.1550	8.603	2	125.1550	8.603	2
762	430	762	0:SP2_SP-NON_SP2	C[6]	Se	C[6]	3:3:1:	3:	3:3:3:	C[6]-3:N[6]-3:Se-1:	C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(Se)	Se(C[6]C[6]N[6])	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	Se(C[6]C[6]N[6])	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	127.2290	0.000	1	127.2290	0.000	1	127.2290	0.000	1	127.2290	0.000	1	125.1550	8.603	2	125.1550	8.603	2
762	430	856	0:SP2_SP-NON_SP2	C[6,6]	Se	N[6,6]	3:4:1:	3:	4:3:3:	N[6,6]-3:C[3x6]-4:Se-1:	C[6,6]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se)	Se(C[6,6]C[3x6]N[6,6])	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se){2|C<3>,3|H<1>,4|C<4>}	Se(C[6,6]C[3x6]N[6,6])	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	123.1170	0.000	1	123.1170	0.000	1	123.1170	0.000	1	123.1170	0.000	1	123.1170	0.000	1	121.6769	2.510	28
762	430	856	0:SP2_SP-NON_SP2	C[6]	Se	N[6]	3:2:1:	3:	3:3:3:	N[6]-3:N[6]-2:Se-1:	C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	Se(C[6]N[6]2)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	Se(C[6]N[6]2)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){1|O<2>,2|H<1>,5|C<3>}	120.9535	0.515	2	120.9413	0.133	3	120.9413	0.133	3	120.9413	0.133	3	121.6236	2.524	27	121.6769	2.510	28
762	430	856	0:SP2_SP-NON_SP2	C[6]	Se	N[6]	3:2:1:	3:	3:3:3:	N[6]-3:N[6]-2:Se-1:	C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	Se(C[6]N[6]2)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	Se(C[6]N[6]2)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){3|H<1>,5|C<3>}	120.9170	0.000	1	120.9413	0.133	3	120.9413	0.133	3	120.9413	0.133	3	121.6236	2.524	27	121.6769	2.510	28
762	430	856	0:SP2_SP-NON_SP2	C[6]	Se	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Se-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(Se)	Se(C[6]C[6]N[6])	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	Se(C[6]C[6]N[6])	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	116.5310	0.000	1	116.5310	0.000	1	117.5350	2.016	2	121.6882	3.032	22	121.6236	2.524	27	121.6769	2.510	28
762	430	856	0:SP2_SP-NON_SP2	C[6]	Se	N[6]	3:3:1:	3:	3:3:1:	C[6]-3:N[6]-3:Se-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Se)	Se(C[6]C[6]N[6])	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	Se(C[6]C[6]N[6])	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.5390	0.000	1	118.5390	0.000	1	117.5350	2.016	2	121.6882	3.032	22	121.6236	2.524	27	121.6769	2.510	28
762	430	856	0:SP2_SP-NON_SP2	C[6]	Se	N[6]	3:3:1:	3:	3:3:1:	N[6]-3:N[6]-3:Se-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]H)2(Se)	Se(C[6]N[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](N[6]C[6]H)2(Se){1|C<3>,1|C<4>,1|O<1>}	Se(C[6]N[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	122.3466	1.385	10	122.3466	1.919	10	122.1035	1.248	20	121.6882	3.032	22	121.6236	2.524	27	121.6769	2.510	28
762	430	856	0:SP2_SP-NON_SP2	C[6]	Se	N[6]	3:3:1:	3:	3:3:1:	N[6]-3:N[6]-3:Se-1:	C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]H)2(Se)	Se(C[6]N[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]O)(H)	C[6](N[6]C[6]H)2(Se){1|C<3>,1|C<4>,1|O<1>}	Se(C[6]N[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	121.8604	0.764	10	121.8604	0.584	10	122.1035	1.248	20	121.6882	3.032	22	121.6236	2.524	27	121.6769	2.510	28
762	430	856	0:SP2_SP-NON_SP2	C[6]	Se	N[6]	3:3:1:	3:	3:3:4:	C[6,6a]-3:N[6]-3:Se-1:	C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se)	Se(C[6]C[6,6a]N[6])	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se){2|H<1>,3|C<3>}	Se(C[6]C[6,6a]N[6])	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	121.9360	0.037	2	121.9360	0.001	2	121.9360	0.001	2	121.9360	0.001	2	121.6236	2.524	27	121.6769	2.510	28
762	430	914	0:SP2_SP-NON_SP2	C[6]	Se	N[6]	3:2:1:	3:	3:3:	N[6]-3:N[6]-2:Se-1:	C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	Se(C[6]N[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	Se(C[6]N[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]C){1|H<1>,2|C<3>}	120.0783	0.604	3	120.0783	0.364	3	120.0783	0.364	3	120.0783	0.364	3	120.0783	0.364	3	120.0783	0.364	3
762	466	466	0:SP2_SP3_SP3	C[3x6]	C[3x6]	C[6]	4:3:4:	3:4:2:1:	3:4:2:1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-3:C[6]-4:O-2:H-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	121.7490	0.000	1	121.7490	0.000	1	121.7490	0.000	1	121.7490	0.000	1	123.3760	5.256	3	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[3x6]	C[3x6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	125.9980	0.000	1	125.9980	0.000	1	125.9980	0.000	1	125.9980	0.000	1	123.3760	5.256	3	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[3x6]	C[3x6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	123.3760	5.256	3	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6]	4:3:4:	4:3:4:4:	3:4:1:1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH){3|O<2>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	122.9780	0.000	1	122.9780	0.000	1	122.9780	0.000	1	122.9780	0.000	1	125.4363	5.500	3	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	125.6820	0.000	1	125.6820	0.000	1	125.6820	0.000	1	125.6820	0.000	1	125.4363	5.500	3	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6]	4:3:4:	4:4:3:4:	3:4:1:1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|O<2>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH){2|C<3>,3|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,4|C<4>}	127.6490	0.000	1	127.6490	0.000	1	127.6490	0.000	1	127.6490	0.000	1	125.4363	5.500	3	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[3x6]	C[6]	C[3x6]	4:3:4:	3:3:1:1:	3:3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[6,6a]-3:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,5|H<1>}	122.2413	0.341	7	122.2413	0.116	7	122.2413	0.116	7	122.2413	0.116	7	122.2413	0.116	7	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:3:4:	4:3:4:3:	3:4:1:1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,5|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,5|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	116.2160	1.236	2	116.2160	1.528	2	117.3590	4.683	3	117.3590	4.683	3	117.7582	3.377	5	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:3:4:	4:3:4:3:	3:4:1:1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|N<3>,5|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,3|C<4>}	119.6450	0.000	1	119.6450	0.000	1	117.3590	4.683	3	117.3590	4.683	3	117.7582	3.377	5	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:3:4:	4:3:4:4:	3:4:1:1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<2>,5|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH){1|S<4>,6|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	117.7582	3.377	5	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:3:4:	4:4:3:3:	3:4:1:1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[4x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,3|C<4>}	119.5710	0.000	1	119.5710	0.000	1	119.5710	0.000	1	119.5710	0.000	1	117.7582	3.377	5	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2){2|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H){2|C<3>,2|H<1>,5|C<4>}	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:2:4:4:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.2090	0.000	1	117.2090	0.000	1	117.2090	0.000	1	117.2090	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[5,6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	4:3:2:1:	3:2:1:1:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[4x6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	114.8260	0.147	2	114.8260	0.022	2	115.5917	1.770	3	115.5917	1.770	3	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.1230	0.000	1	117.1230	0.000	1	115.5917	1.770	3	115.5917	1.770	3	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:2:1:	3:2:4:4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H)	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H){1|C<3>,1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:2:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	115.2365	0.101	2	115.2365	0.010	2	115.2365	0.010	2	115.2365	0.010	2	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:4:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{2|C<4>,4|C<3>}	116.7540	0.000	1	116.7540	0.000	1	116.7540	0.000	1	116.7540	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|C<3>,3|C<4>}	115.8120	0.380	2	115.8120	0.145	2	115.8120	0.145	2	115.8120	0.145	2	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:3:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	116.3644	0.857	7	116.2411	0.632	10	116.5349	0.846	20	116.5349	0.846	20	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	115.9533	0.680	3	116.2411	0.632	10	116.5349	0.846	20	116.5349	0.846	20	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,5|C<4>}	115.6200	0.000	1	116.5975	0.518	8	116.5349	0.846	20	116.5349	0.846	20	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	117.5340	0.000	1	116.5975	0.518	8	116.5349	0.846	20	116.5349	0.846	20	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	116.3690	0.301	4	116.5975	0.518	8	116.5349	0.846	20	116.5349	0.846	20	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	117.0750	0.926	2	116.5975	0.518	8	116.5349	0.846	20	116.5349	0.846	20	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2{1|C<3>,4|C<4>}	118.9580	0.000	1	118.9580	0.000	1	116.5349	0.846	20	116.5349	0.846	20	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	116.5490	0.000	1	116.5490	0.000	1	116.5349	0.846	20	116.5349	0.846	20	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H){7|C<4>}	115.7630	0.000	1	115.7630	0.000	1	115.8095	0.004	2	115.8095	0.004	2	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:4:	3:4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){7|C<4>}	115.8560	0.000	1	115.8560	0.000	1	115.8095	0.004	2	115.8095	0.004	2	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:3:2:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN){1|C<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	116.8500	0.559	2	116.8500	0.312	2	116.8500	0.312	2	116.7033	0.221	3	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:3:2:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	116.7033	0.221	3	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:3:	3:3:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	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[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	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[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	115.9690	0.000	1	115.9690	0.000	1	115.4370	0.566	2	115.4370	0.566	2	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	114.9050	0.000	1	114.9050	0.000	1	115.4370	0.566	2	115.4370	0.566	2	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:4:	3:4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){1|H<1>,6|C<4>}	115.4420	0.000	1	115.4420	0.000	1	115.4420	0.000	1	115.4420	0.000	1	116.5118	1.336	44	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2){3|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	114.8160	0.000	1	114.8160	0.000	1	114.8160	0.000	1	114.8160	0.000	1	115.1375	0.207	2	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[3,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	115.1375	0.207	2	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:2:4:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:2:4:4:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	117.6730	0.000	1	117.6730	0.000	1	117.6730	0.000	1	117.6730	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	116.5050	0.000	1	116.5050	0.000	1	116.5050	0.000	1	115.8493	0.749	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	N[5,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	115.5215	0.924	2	115.5215	0.854	2	115.5215	0.854	2	115.8493	0.749	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	118.6690	0.000	1	118.6690	0.000	1	118.6690	0.000	1	117.5170	0.714	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	117.1110	0.608	2	117.1330	0.186	3	117.1330	0.186	3	117.5170	0.714	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	117.1770	0.000	1	117.1330	0.186	3	117.1330	0.186	3	117.5170	0.714	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:2:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	113.9000	0.036	6	113.9000	0.001	6	114.5187	2.681	7	114.5187	2.681	7	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:2:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,3|C<4>}	118.2310	0.000	1	118.2310	0.000	1	114.5187	2.681	7	114.5187	2.681	7	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:3:1:1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	118.6130	0.000	1	118.6130	0.000	1	118.6130	0.000	1	116.0170	5.201	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	116.0170	5.201	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:S[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.1020	0.000	1	115.1020	0.000	1	115.1020	0.000	1	116.0170	5.201	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:3:4:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.6320	0.000	1	118.6320	0.000	1	118.6320	0.000	1	118.6320	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.4985	1.042	2	114.4985	1.085	2	114.4985	1.085	2	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2{4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	117.3450	0.000	1	117.3450	0.000	1	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	112.3925	2.283	2	112.3925	5.213	2	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.1920	0.000	1	114.1920	0.000	1	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	118.7843	0.919	4	118.7843	0.845	4	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6585	1.133	2	118.6585	1.285	2	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.0230	0.000	1	119.0230	0.000	1	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	114.2910	0.188	2	114.2910	0.035	2	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	114.1500	0.000	1	114.1500	0.000	1	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.6600	0.000	1	115.6600	0.000	1	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	116.5770	0.000	1	116.5770	0.000	1	116.4230	6.754	16	116.1084	6.247	19	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	115.2520	0.000	1	115.2520	0.000	1	114.9235	0.216	2	114.9235	0.216	2	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	114.5950	0.000	1	114.5950	0.000	1	114.9235	0.216	2	114.9235	0.216	2	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:3:1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	121.2305	0.286	4	121.2305	0.082	4	121.2305	0.082	4	121.2305	0.082	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){3|C<4>,4|H<1>}	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|S<4>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	116.1500	0.208	2	116.1500	0.043	2	116.1500	0.043	2	116.1500	0.043	2	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:3:1:	3:2:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH){1|B<3>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	118.3582	0.303	4	118.3582	0.092	4	118.3582	0.092	4	118.3582	0.092	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:3:3:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-3:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(COO)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:4:1:	3:2:2:1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,4|C<4>}	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:4:3:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	117.5050	0.000	1	117.5050	0.000	1	117.5423	0.281	3	117.5423	0.281	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:4:3:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	117.0320	0.000	1	117.0320	0.000	1	117.5423	0.281	3	117.5423	0.281	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:4:3:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	118.0900	0.000	1	118.0900	0.000	1	117.5423	0.281	3	117.5423	0.281	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:2:4:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H){5|C<4>}	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{7|C<4>}	114.7400	0.000	1	114.7400	0.000	1	115.8103	1.975	3	115.8103	1.975	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	115.2890	0.000	1	115.2890	0.000	1	115.8103	1.975	3	115.8103	1.975	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH){1|Br<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	117.4020	0.000	1	117.4020	0.000	1	115.8103	1.975	3	115.8103	1.975	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{3|C<4>,4|H<1>}	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:N[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	113.2365	0.294	2	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	113.2365	0.294	2	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	113.6600	0.000	1	113.6600	0.000	1	114.6440	0.762	4	114.6440	0.762	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	115.6200	0.000	1	114.9720	0.497	3	114.6440	0.762	4	114.6440	0.762	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	115.0750	0.000	1	114.9720	0.497	3	114.6440	0.762	4	114.6440	0.762	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	114.2210	0.000	1	114.9720	0.497	3	114.6440	0.762	4	114.6440	0.762	4	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:4:4:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH)	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[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	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[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.3975	0.474	2	115.3975	0.225	2	115.3975	0.225	2	115.3975	0.225	2	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	115.4587	6.907	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	115.4587	6.907	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	115.4587	6.907	3	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:3:4:2:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.8055	0.278	2	115.8055	0.077	2	115.8055	0.077	2	115.8055	0.077	2	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:2:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	118.2045	0.234	2	118.2045	0.055	2	118.2045	0.055	2	116.3481	3.136	13	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	117.8940	0.000	1	117.8940	0.000	1	117.8940	0.000	1	116.3481	3.136	13	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]Os)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Os<9>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]Os)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	114.1175	0.807	2	114.1175	0.651	2	115.8222	2.836	10	116.3481	3.136	13	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Ru<9>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	116.2484	1.586	8	116.2484	2.516	8	115.8222	2.836	10	116.3481	3.136	13	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	118.5040	0.000	1	118.5040	0.000	1	118.5040	0.000	1	118.5040	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:4:2:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	115.8356	3.062	5	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.9350	0.000	1	116.9350	0.000	1	115.7797	1.017	3	115.8356	3.062	5	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.2020	0.177	2	115.2020	0.031	2	115.7797	1.017	3	115.8356	3.062	5	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	115.8356	3.062	5	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:4:3:	3:4:2:1:	4:3:2:1:	C[6]-4:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[3,6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1035	1.234	2	119.1035	1.523	2	119.1035	1.523	2	119.1035	1.523	2	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	116.4952	5.078	106	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	3:4:4:1:	3:3:1:1:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.0920	0.399	2	114.3577	0.291	3	114.3577	0.291	3	114.3577	0.291	3	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	3:4:4:1:	3:3:1:1:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|S<4>,5|H<1>,7|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{3|H<1>,4|C<4>}	114.8890	0.000	1	114.3577	0.291	3	114.3577	0.291	3	114.3577	0.291	3	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:4:3:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){2|C<3>,2|C<4>,6|H<1>}	119.2790	0.000	1	119.2790	0.000	1	119.2790	0.000	1	119.2790	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:4:4:4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	121.5680	0.000	1	121.5680	0.000	1	121.5680	0.000	1	121.5680	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:3:	4:3:1:1:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	119.3430	1.636	2	119.3430	2.677	2	119.3430	2.677	2	117.9033	7.557	3	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:3:3:	4:3:1:1:	C[6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	117.9033	7.557	3	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:3:4:	3:4:4:3:	4:3:1:1:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,3|C<3>}	115.3740	0.711	2	115.3740	0.506	2	115.3740	0.506	2	115.3740	0.506	2	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:2:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:S[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2{3|C<4>,3|N<3>,4|H<1>}	118.4350	0.000	1	118.4350	0.000	1	118.1180	0.201	2	118.1180	0.201	2	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|C<4>,3|N<3>,5|H<1>}	117.8010	0.000	1	117.8010	0.000	1	118.1180	0.201	2	118.1180	0.201	2	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2{1|C<2>,1|N<3>,2|C<4>,3|C<3>}	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]Pt)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]Pt){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|Pt<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){2|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){2|N<3>,5|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|N<3>,3|C<4>,5|H<1>}	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:3:2:1:	C[6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){4|C<4>,6|H<1>}	117.0948	0.606	4	117.0948	0.367	4	117.0948	0.367	4	117.0948	0.367	4	116.8446	4.209	23	117.0173	6.711	194
762	466	466	0:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:2:1:	C[6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H){1|C<3>,3|O<2>,4|H<1>,7|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	116.8446	4.209	23	117.0173	6.711	194
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[3x6]	C[3x6]	4:4:3:	3:4:4:1:	3:4:3:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|Cl<1>,3|C<4>,3|H<1>}	112.4700	0.000	1	112.1445	0.212	2	112.1445	0.212	2	112.1445	0.212	2	112.1770	0.109	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[3x6]	C[3x6]	4:4:3:	3:4:4:1:	3:4:3:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){2|Br<1>,3|C<4>,3|H<1>}	111.8190	0.000	1	112.1445	0.212	2	112.1445	0.212	2	112.1445	0.212	2	112.1770	0.109	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[3x6]	C[3x6]	4:4:3:	4:3:3:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:N[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	112.1770	0.109	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[3x6]	C[6,6]	4:4:2:	4:3:2:4:	4:3:1:1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6]){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	114.5580	0.000	1	114.5580	0.000	1	116.9660	1.870	5	116.9660	1.870	5	116.3862	3.514	6	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[3x6]	C[6,6]	4:4:2:	4:3:2:4:	4:3:1:1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	117.4837	0.272	3	117.5680	0.078	4	116.9660	1.870	5	116.9660	1.870	5	116.3862	3.514	6	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[3x6]	C[6,6]	4:4:2:	4:3:2:4:	4:3:1:1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	117.8210	0.000	1	117.5680	0.078	4	116.9660	1.870	5	116.9660	1.870	5	116.3862	3.514	6	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[3x6]	C[6,6]	4:4:3:	3:3:4:3:	3:4:3:1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	116.3862	3.514	6	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[3x6]	4:4:3:	4:3:4:1:	3:4:2:1:	C[3x6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H)	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	112.3120	0.000	1	112.3120	0.000	1	112.3120	0.000	1	112.3120	0.000	1	112.9270	0.756	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[3x6]	4:4:3:	4:3:4:3:	3:4:4:1:	C[4x6]-4:C[3x6]-4:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	112.9270	0.756	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[4x6]	4:4:1:	3:4:3:4:	4:4:3:4:	C[4x6]-4:C[4x6]-4:O-1:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-3:C-4:	C[4x6]-4:C[6,6]-4:C[3x6]-3:C-4:	C[3x6](C[4x6]C[5a,6,6]C[4x6]C)(C[4x6]C[4x6]C[6,6]C)(O)	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3)	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3)	C[3x6](C[4x6]C[5a,6,6]C[4x6]C)(C[4x6]C[4x6]C[6,6]C)(O){1|C<4>,3|C<3>,4|H<1>}	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.6930	6.132	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[4x6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[4x6]-4:C[4x6]-4:O-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(O)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(O){1|O<2>,3|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	110.6930	6.132	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[4x6]	4:4:3:	4:3:4:1:	3:4:3:4:	C[4x6]-4:C[4x6]-4:C[6]-3:	C[6x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH){4|C<4>,7|H<1>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	110.6930	6.132	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:3:3:4:	3:4:4:4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|Si<4>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	119.0260	0.000	1	119.0665	0.003	2	119.0665	0.003	2	118.9092	0.028	5	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:3:3:4:	3:4:4:4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	119.1070	0.000	1	119.0665	0.003	2	119.0665	0.003	2	118.9092	0.028	5	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:3:3:4:	3:4:4:4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	118.9092	0.028	5	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:3:3:4:	3:4:4:4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	118.8710	0.001	2	118.8710	0.000	2	118.8710	0.000	2	118.9092	0.028	5	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	3:4:3:4:	3:4:4:1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6,6]-3:C[6]-4:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|I<1>,2|O<1>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,1|O<1>,3|C<4>}	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	4:3:3:4:	3:4:4:4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	119.3917	0.643	3	119.3917	0.413	3	119.3917	0.413	3	119.3917	0.413	3	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	4:3:3:4:	4:3:3:1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[4x6]-4:C[3x6]-3:C[6a]-3:H-1:	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C)	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	113.6635	0.589	2	113.6635	0.347	2	113.6635	0.347	2	113.6635	0.347	2	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	4:3:4:3:	3:4:4:1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	4:3:4:3:	4:3:4:4:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.4510	0.000	1	114.4510	0.000	1	114.4510	0.000	1	114.4510	0.000	1	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-4:	C[3x6]-3:C[3x6]-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H)	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H){1|O<2>,5|H<1>,6|C<4>}	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2{10|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2{4|C<4>,5|H<1>}	112.6487	0.433	3	112.6487	0.187	3	112.6487	0.187	3	112.6487	0.187	3	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6,6]	4:4:3:	4:4:3:3:	4:3:4:2:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-3:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H)	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O){2|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	113.8190	0.000	1	113.8190	0.000	1	113.8190	0.000	1	113.8190	0.000	1	115.8104	11.087	17	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6]	4:3:4:	3:3:4:4:	3:4:1:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-3:C[6,6]-4:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH){1|Br<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	121.9230	0.000	1	121.9230	0.000	1	121.9230	0.000	1	121.9230	0.000	1	121.0730	1.810	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6]	4:3:4:	3:4:2:4:	3:2:1:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH){1|C<4>,2|O<2>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH){1|C<4>,2|O<2>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	119.5220	0.000	1	119.5220	0.000	1	119.5220	0.000	1	119.5220	0.000	1	121.0730	1.810	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[4x6]	C[6]	4:3:4:	4:4:3:4:	3:4:1:1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,2|O<1>,7|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	121.0730	1.810	3	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[5x6]	C[6]	4:3:4:	4:3:3:4:	3:2:1:1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[3x6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H)	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	119.8520	0.000	1	119.8520	0.000	1	119.8520	0.000	1	119.8520	0.000	1	118.6635	2.825	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[5x6]	C[6]	4:3:4:	4:4:3:3:	3:4:4:1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[3x6]-3:C[5,6]-4:C-4:H-1:	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH){1|Si<4>,2|C<4>,4|C<3>,4|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	118.6635	2.825	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[6,6]	C[6,6]	3:4:4:	3:4:4:1:	3:4:4:1:	C[4x6]-3:C[6,6]-4:C[6,6]-4:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H)	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2{1|Si<4>,3|C<3>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	111.9217	59.489	19	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:	C[3x6]-3:C[5a]-3:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	111.9217	59.489	19	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[3x6]-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2)2(H)2{2|C<4>,6|H<1>}	111.4520	0.943	2	111.4520	0.890	2	111.4520	0.890	2	111.4520	0.890	2	111.9217	59.489	19	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3{3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	112.6766	9.627	12	112.6766	92.683	12	112.6766	92.683	12	111.9063	75.406	15	111.9217	59.489	19	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[3x6]	C[6,6]	C[6,6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)3	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2{1|Ga<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2{1|Ga<5>,2|C<4>,4|H<1>}	108.8253	0.537	3	108.8253	0.289	3	108.8253	0.289	3	111.9063	75.406	15	111.9217	59.489	19	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[4x6]	C[3x6]	C[4x6]	4:4:3:	4:3:4:1:	4:3:3:4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:	C[3x6]-4:C[4x6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2){3|C<3>,6|H<1>,7|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H){1|Si<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	114.0180	0.000	1	114.0180	0.000	1	114.0180	0.000	1	114.0180	0.000	1	114.0180	0.000	1	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[4x6]	C[5x6]	C[3x6]	4:3:4:	3:4:2:2:	3:4:4:1:	C[5x6]-4:C[4x6]-3:C[3x6]-4:	C[4x6]-3:C[3x6]-4:S[6,6]-2:S[6,6]-2:	C[4x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H)	C[5x6](C[4x6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(S[6,6]S[6,6])2	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H)	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H){2|S<2>,5|C<4>,6|H<1>}	C[5x6](C[4x6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(S[6,6]S[6,6])2{4|C<4>,5|H<1>}	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H){2|S<2>,3|C<4>,4|H<1>}	111.5995	0.520	2	111.5995	0.270	2	111.5995	0.270	2	111.5995	0.270	2	111.5995	0.270	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[5x6]	C[4x6]	C[5x6]	4:4:3:	3:3:3:3:	4:3:3:3:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:4:	3:4:4:1:	3:4:4:1:	C[5]-3:C[3x6]-4:C[3x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	110.1953	0.258	4	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:4:	3:4:4:1:	3:4:4:1:	C[6,6]-3:C[3x6]-4:C[3x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2{10|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	110.1953	0.258	4	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:4:	3:4:4:1:	3:4:4:1:	C[6]-3:C[3x6]-4:C[3x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2{1|O<1>,2|C<4>,3|C<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	110.1920	0.000	1	110.1285	0.008	2	110.1285	0.008	2	110.1953	0.258	4	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	3:4:4:	3:4:4:1:	3:4:4:1:	C[6]-3:C[3x6]-4:C[3x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	110.0650	0.000	1	110.1285	0.008	2	110.1285	0.008	2	110.1953	0.258	4	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:2:2:	4:3:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6](C[3x6]C[3x6]O[6]2)(C[3x6]C[6,6]2Cl)(O)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(O[6]C[6,6a])(O[6]C[6])	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[3x6]O[6]2)(C[3x6]C[6,6]2Cl)(O){1|O<2>,2|C<4>,5|C<3>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl){1|C<4>,2|O<2>,3|H<1>}	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:2:2:	4:3:4:1:	C[3x6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O){8|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:1:	3:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	112.0980	0.000	1	111.7202	0.098	4	111.7202	0.098	4	111.7202	0.098	4	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:1:	3:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	111.5943	0.228	3	111.7202	0.098	4	111.7202	0.098	4	111.7202	0.098	4	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H){2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	114.5885	0.575	2	114.5885	0.330	2	114.5885	0.330	2	114.5885	0.330	2	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:3:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)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[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	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[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	116.4055	0.107	2	116.4055	0.011	2	115.4139	0.660	7	115.4139	0.660	7	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:3:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	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[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	115.4305	0.370	2	115.4305	0.137	2	115.4139	0.660	7	115.4139	0.660	7	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:3:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	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[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	114.7930	0.000	1	114.7930	0.000	1	115.4139	0.660	7	115.4139	0.660	7	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:3:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	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[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	115.2100	0.000	1	115.2100	0.000	1	115.4139	0.660	7	115.4139	0.660	7	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:3:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	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[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	114.2220	0.000	1	114.2220	0.000	1	115.4139	0.660	7	115.4139	0.660	7	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:4:	4:3:3:3:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,2|O<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	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>}	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:4:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	116.8990	0.000	1	116.8990	0.000	1	116.0813	0.502	3	116.0813	0.502	3	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:4:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O){2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	115.6610	0.000	1	115.6610	0.000	1	116.0813	0.502	3	116.0813	0.502	3	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:3:4:	4:3:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(O){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	115.6840	0.000	1	115.6840	0.000	1	116.0813	0.502	3	116.0813	0.502	3	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:4:1:	3:3:2:1:	C[3x6]-4:C[3x6]-4:O-1:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O){3|C<3>,4|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.4430	0.000	1	111.4430	0.000	1	111.4430	0.000	1	111.4430	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:4:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:3:4:4:	3:4:3:4:	C[3x6]-4:C[3x6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,4x6]C[6]C)(C[3x6]C[6,6]2C)(O)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH)	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH)	C[6,6](C[3x6]C[5,4x6]C[6]C)(C[3x6]C[6,6]2C)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	114.7250	0.000	1	114.7250	0.000	1	114.7250	0.000	1	114.7250	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H){1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	112.9700	0.000	1	112.9700	0.000	1	112.9700	0.000	1	112.8156	0.014	5	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(O)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(O){3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){4|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	112.9170	0.000	1	112.9170	0.000	1	112.7770	0.009	4	112.8156	0.014	5	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(O)	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,3|C<4>}	112.7370	0.000	1	112.7370	0.000	1	112.7770	0.009	4	112.8156	0.014	5	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(O)	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(O){2|N<3>,4|C<3>,4|H<1>}	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H){1|H<1>,3|C<4>,4|C<3>}	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H){1|H<1>,3|C<4>,4|C<3>}	112.7270	0.040	2	112.7270	0.002	2	112.7770	0.009	4	112.8156	0.014	5	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:3:	4:4:3:3:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(COO)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(COO)	C[6,6](C[3x6]C[6,6]2C)2(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(COO){2|C<4>,4|C<3>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(COO){2|C<4>,4|C<3>}	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:4:	4:3:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|H<1>,2|O<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H){1|H<1>,5|C<4>}	114.8665	0.081	2	114.8665	0.007	2	114.4475	0.285	4	114.4475	0.285	4	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:4:	4:3:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H){1|H<1>,5|C<4>}	114.0285	0.381	2	114.0285	0.145	2	114.4475	0.285	4	114.4475	0.285	4	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:2:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(NN)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[6,6]2H)2(NN){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	110.7270	0.000	1	110.7270	0.000	1	111.8322	0.424	5	110.8903	1.606	9	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	112.1390	0.282	3	112.1390	0.080	3	111.8322	0.424	5	110.8903	1.606	9	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(C[5]P[5]2)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]P[5]2){2|C<4>,4|C<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|P<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|P<3>,3|C<4>,3|H<1>}	112.0170	0.000	1	112.0170	0.000	1	111.8322	0.424	5	110.8903	1.606	9	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){1|O<2>,6|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){3|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	110.0515	0.462	2	110.0515	0.213	2	109.7130	0.389	4	110.8903	1.606	9	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){10|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	109.3745	0.704	2	109.3745	0.495	2	109.7130	0.389	4	110.8903	1.606	9	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	4:3:2:2:	3:3:3:1:	C[3x6]-4:C[3x6]-4:C-3:	C[5x6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O[6]C[6])(OC)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O[6]C[6])(OC){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	4:3:3:1:	4:4:3:2:	C[3x6]-4:C[3x6]-4:C-3:	C[5x6]-4:C[6,6]-3:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5x6]N[6]H)(CHH)	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5x6]N[6]H)(CHH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CCC)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CCC){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H){3|C<4>,3|H<1>}	111.6107	0.115	6	111.6107	0.013	6	111.8598	0.171	9	111.9518	0.237	10	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H){3|C<4>,3|H<1>}	112.3580	0.305	3	112.3580	0.093	3	111.8598	0.171	9	111.9518	0.237	10	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Ga)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Ga){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	111.9518	0.237	10	112.8231	3.667	58	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[4x6]	4:4:1:	4:3:3:3:	4:3:3:4:	C[4x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(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[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O){2|O<1>,3|H<1>,6|C<4>}	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[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	114.9080	0.474	2	114.9080	0.224	2	114.9080	0.224	2	114.9080	0.224	2	114.9080	0.224	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	3:3:2:1:	4:3:2:2:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]OO)(O){1|C<3>,1|N<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|O<2>,2|C<3>,2|H<1>}	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,4|H<1>}	111.0960	0.143	2	111.0960	0.020	2	111.0960	0.020	2	111.0960	0.020	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	3:3:3:1:	4:3:2:2:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|I<1>,2|C<3>,2|H<1>}	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	3:3:4:4:	3:4:3:4:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(O)	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)2	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)2{2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	114.7883	0.500	3	114.7883	0.250	3	114.7883	0.250	3	114.7883	0.250	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:2:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.0685	0.762	8	110.0685	0.580	8	110.0685	0.580	8	110.0685	0.580	8	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	112.2610	0.018	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.2610	0.018	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:1:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	111.7485	0.095	2	111.7485	0.009	2	112.2173	0.420	4	112.2173	0.420	4	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:1:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	113.1180	0.000	1	113.1180	0.000	1	112.2173	0.420	4	112.2173	0.420	4	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:1:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	112.2540	0.000	1	112.2540	0.000	1	112.2173	0.420	4	112.2173	0.420	4	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:2:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.2680	0.000	1	112.2680	0.000	1	112.1615	0.023	2	112.4969	0.697	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:2:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|C<3>,3|H<1>}	112.0550	0.000	1	112.0550	0.000	1	112.1615	0.023	2	112.4969	0.697	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:2:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]OO)(O){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	112.8063	0.305	3	112.8063	0.093	3	112.8063	0.093	3	112.4969	0.697	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:2:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|H<1>,3|C<3>}	112.0710	0.000	1	112.0710	0.000	1	111.9835	0.015	2	112.4969	0.697	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:2:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	111.8960	0.000	1	111.8960	0.000	1	111.9835	0.015	2	112.4969	0.697	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:2:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[6,6]C[5,3x6]OO)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2	C[6,6](C[6,6]C[5,3x6]OO)(C[3x6]C[6,6]2H)(O){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2{2|C<4>,3|C<3>,3|H<1>}	112.8815	2.003	2	112.8815	4.013	2	112.8815	4.013	2	112.4969	0.697	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:4:1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:F-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CF)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F){1|C<3>,2|C<4>,3|H<1>}	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	114.0640	0.235	2	114.0640	0.055	2	113.3612	0.486	5	113.1957	0.641	7	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	112.8350	0.000	1	112.8350	0.000	1	113.3612	0.486	5	113.1957	0.641	7	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	113.2650	0.000	1	113.2650	0.000	1	113.3612	0.486	5	113.1957	0.641	7	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH){1|C<3>,2|C<4>,3|H<1>}	112.5780	0.000	1	112.5780	0.000	1	113.3612	0.486	5	113.1957	0.641	7	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH)	C[6,6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6]C[3x6]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH){1|C<3>,2|H<1>,3|C<4>}	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	113.1957	0.641	7	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	113.1957	0.641	7	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:3:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O){1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.9380	0.263	2	112.9380	0.069	2	112.9380	0.069	2	112.9380	0.069	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	113.1727	0.384	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	113.2950	0.823	2	113.2950	0.677	2	113.2950	0.677	2	113.1727	0.384	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:4:1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	113.3740	0.000	1	113.5820	0.087	2	113.5820	0.087	2	113.5820	0.087	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:4:1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){3|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	113.7900	0.000	1	113.5820	0.087	2	113.5820	0.087	2	113.5820	0.087	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|H<1>,4|C<4>}	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.6147	0.049	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	113.8580	0.000	1	113.8580	0.000	1	113.6400	0.095	2	113.6147	0.049	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:4:2:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	113.4220	0.000	1	113.4220	0.000	1	113.6400	0.095	2	113.6147	0.049	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:4:3:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C-4:C-3:	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH)	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O)	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	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>}	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:3:4:2:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[4,6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	117.0000	0.000	1	117.0000	0.000	1	117.0000	0.000	1	117.0000	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{3|H<1>,4|C<4>}	111.8325	0.327	2	111.8325	0.107	2	111.9036	0.339	12	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|C<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{2|C<2>,2|C<4>,3|H<1>}	111.8307	0.587	4	111.8307	0.344	4	111.9036	0.339	12	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(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]O)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.4320	0.000	1	111.4320	0.000	1	111.9036	0.339	12	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|N<3>,2|C<4>,4|H<1>}	111.6300	0.000	1	111.6300	0.000	1	111.9036	0.339	12	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.8690	0.000	1	112.8690	0.000	1	111.9036	0.339	12	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|N<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{3|C<4>,4|H<1>}	112.6880	0.000	1	112.6880	0.000	1	111.9036	0.339	12	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.6180	0.741	2	111.6180	0.549	2	111.9036	0.339	12	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{4|C<4>,6|H<1>}	112.8365	0.117	2	112.8365	0.014	2	112.5127	0.330	4	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	112.7170	0.000	1	112.7170	0.000	1	112.5127	0.330	4	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|O<1>,4|C<4>,4|H<1>}	111.6610	0.000	1	111.6610	0.000	1	112.5127	0.330	4	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	111.7720	0.000	1	111.7720	0.000	1	111.9557	2.907	3	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.0475	2.401	2	112.0475	5.763	2	111.9557	2.907	3	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	111.2080	0.000	1	111.2080	0.000	1	111.6020	0.310	2	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	111.9960	0.000	1	111.9960	0.000	1	111.6020	0.310	2	112.0623	0.606	23	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:3:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(COO){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	4:4:3:4:	4:3:3:4:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	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>}	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:1:	6:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:O-1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,5|B<6>,7|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|C<6>,2|H<1>,4|B<6>}	113.2145	0.332	2	113.2145	0.110	2	113.2145	0.110	2	113.2145	0.110	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:2:	3:3:2:1:	4:3:4:1:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO){1|C<3>,1|N<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H){1|O<2>,2|C<3>,2|H<1>}	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:2:	4:4:3:1:	3:3:1:1:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|N<3>,6|H<1>}	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	111.9645	0.117	2	111.9645	0.014	2	111.9645	0.014	2	111.9645	0.014	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:2:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|N<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2{2|C<4>,5|H<1>}	112.7740	0.045	2	112.7740	0.002	2	112.7740	0.002	2	112.7740	0.002	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:4:2:	3:4:4:2:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]2O)(CHH)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]2O)(CHH){2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,3|H<1>}	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:4:2:	4:3:4:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]C[6]H)(CHH)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]C[6]H)(CHH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:4:3:	3:4:4:4:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	119.7600	0.000	1	119.6803	0.017	3	119.6803	0.017	3	119.6803	0.017	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	3:4:4:3:	3:4:4:4:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	119.6405	0.156	2	119.6803	0.017	3	119.6803	0.017	3	119.6803	0.017	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	3:3:4:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	111.0200	0.447	3	111.0200	0.199	3	111.0200	0.199	3	111.0200	0.199	3	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCH){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	111.6340	0.413	2	111.6340	0.171	2	111.6340	0.171	2	111.6340	0.171	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:3:4:	4:3:2:1:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H){2|C<3>,3|H<1>,4|C<4>}	113.9030	0.826	2	113.9030	0.682	2	113.9030	0.682	2	113.9030	0.682	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	112.1695	0.450	2	112.1695	0.203	2	112.1695	0.203	2	112.1695	0.203	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	110.9340	0.000	1	110.5470	0.300	2	110.5470	0.300	2	110.5470	0.300	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.1600	0.000	1	110.5470	0.300	2	110.5470	0.300	2	110.5470	0.300	2	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	3:3:4:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.4490	0.000	1	113.4490	0.000	1	112.0823	1.505	3	111.4920	1.399	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCH)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.3990	0.457	2	111.3990	0.209	2	112.0823	1.505	3	111.4920	1.399	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|O<1>,4|C<4>,4|H<1>}	111.7080	0.000	1	111.9255	0.077	4	111.9255	0.077	4	111.4920	1.399	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|O<2>,3|C<4>,6|H<1>}	112.1870	0.000	1	111.9255	0.077	4	111.9255	0.077	4	111.4920	1.399	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{4|C<4>,6|H<1>}	111.9035	0.339	2	111.9255	0.077	4	111.9255	0.077	4	111.4920	1.399	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	109.7395	0.091	2	109.7395	0.008	2	109.7395	0.008	2	111.4920	1.399	9	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H){4|C<4>,6|H<1>}	111.4670	0.000	1	111.4670	0.000	1	111.9790	0.524	2	111.9935	0.175	4	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){4|C<4>,6|H<1>}	112.4910	0.000	1	112.4910	0.000	1	111.9790	0.524	2	111.9935	0.175	4	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6,6]	4:4:3:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,5x6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[6,6]C[5,5x6]HO)(C[3x6]C[6,6]2H)(CHH)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[6,6](C[6,6]C[5,5x6]HO)(C[3x6]C[6,6]2H)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){5|C<4>,5|H<1>}	112.0080	0.000	2	112.0080	0.000	2	112.0080	0.000	2	111.9935	0.175	4	112.3592	3.290	114	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[3x6]-4:C[6]-4:N[6]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H)	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H)	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:3:2:4:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	115.7960	0.000	1	115.7960	0.000	1	115.7960	0.000	1	115.7960	0.000	1	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6])	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<2>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6]){3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	114.4880	0.000	2	114.4880	0.000	2	114.2970	0.109	3	114.2970	0.109	3	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,3|C<3>,9|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.9150	0.000	1	113.9150	0.000	1	114.2970	0.109	3	114.2970	0.109	3	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){5|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	113.7992	0.669	6	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	113.0415	0.483	2	113.3918	0.242	4	113.5242	0.270	5	113.7992	0.669	6	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	113.7420	0.057	2	113.3918	0.242	4	113.5242	0.270	5	113.7992	0.669	6	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2{2|H<1>,5|C<4>}	114.0540	0.000	1	114.0540	0.000	1	113.5242	0.270	5	113.7992	0.669	6	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,2|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	113.7980	0.079	4	113.7980	0.006	4	113.7980	0.006	4	113.7980	0.006	4	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:4:	3:4:4:4:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	114.5434	2.344	16	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[3x6]	3:4:4:	4:4:3:1:	3:4:4:1:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	110.2923	0.202	3	110.2923	0.041	3	110.2923	0.041	3	110.2923	0.041	3	112.2065	9.252	6	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[3x6]	4:4:1:	4:3:3:4:	4:3:3:4:	C[4x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O)	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O){2|O<1>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	116.1285	0.078	2	116.1285	0.006	2	116.1285	0.006	2	116.1285	0.006	2	112.2065	9.252	6	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[3x6]	4:4:3:	4:4:3:1:	3:4:4:1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2){8|C<4>,8|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	112.2065	9.252	6	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[4x6]	4:4:1:	4:4:3:1:	3:4:3:4:	C[4x6]-4:C[4x6]-4:O-1:	C[6x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(O)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H)	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(O){3|C<3>,4|C<4>,5|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH){4|C<4>,7|H<1>}	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	3:3:3:4:	4:3:2:2:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O)	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O){2|C<3>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|Si<4>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	112.9180	0.000	1	112.9180	0.000	1	112.9180	0.000	1	112.9180	0.000	1	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:1:1:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O){1|C<4>,3|C<3>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	113.5090	0.000	1	113.5090	0.000	1	113.5090	0.000	1	113.5090	0.000	1	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:2:2:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O)	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O){1|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|C<3>,2|C<4>,3|H<1>}	113.3070	0.213	3	113.3070	0.045	3	113.3070	0.045	3	113.5787	0.143	6	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:2:2:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O)	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(O){2|C<3>,3|C<4>,4|H<1>}	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|C<3>,2|C<4>,3|H<1>}	113.8503	0.299	3	113.8503	0.090	3	113.8503	0.090	3	113.5787	0.143	6	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:4:2:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O){3|C<3>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){1|C<3>,2|O<1>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	113.3390	0.000	1	113.7545	0.345	2	113.7545	0.345	2	113.7545	0.345	2	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:3:3:4:	4:3:4:2:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O){3|C<3>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){2|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	114.1700	0.000	1	113.7545	0.345	2	113.7545	0.345	2	113.7545	0.345	2	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:3:4:3:	4:3:1:1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|C<3>,4|C<4>}	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(O)	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O)	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O){1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	113.2970	0.000	1	113.2970	0.000	1	113.3810	0.014	2	113.1703	0.140	3	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O){1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	113.4650	0.000	1	113.4650	0.000	1	113.3810	0.014	2	113.1703	0.140	3	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[4x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|O<2>,4|C<4>}	112.7490	0.000	1	112.7490	0.000	1	112.7490	0.000	1	113.1703	0.140	3	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:4:3:4:	4:3:4:3:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C-4:C-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(O)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(O){1|Si<4>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO){3|H<1>,4|C<4>}	113.8970	0.000	2	113.8970	0.000	2	113.8970	0.000	2	113.8970	0.000	2	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:4:4:3:	4:3:1:1:	C[4x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|O<2>,4|C<4>}	111.9190	0.000	1	111.9190	0.000	1	111.9190	0.000	1	112.3065	0.300	2	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:1:	4:4:4:3:	4:3:1:1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O){1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{5|C<4>}	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.3065	0.300	2	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6,6]	4:4:2:	4:3:3:4:	4:3:4:2:	C[4x6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(OH)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(OH){3|C<3>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){2|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	113.1080	0.471	2	113.1080	0.222	2	113.1080	0.222	2	113.1080	0.222	2	113.2335	0.415	21	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,4|C<4>}	116.3500	0.000	1	116.3715	0.001	2	116.3715	0.001	2	116.3715	0.001	2	116.3715	0.001	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[4x6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	116.3930	0.000	1	116.3715	0.001	2	116.3715	0.001	2	116.3715	0.001	2	116.3715	0.001	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[3x6]-4:C[6,6]-4:O-1:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:1:	4:3:1:1:	4:3:3:2:	C[6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi){2|C<4>,5|H<1>}	112.6640	0.000	1	112.6640	0.000	1	112.6640	0.000	1	112.6640	0.000	1	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:1:	4:3:1:1:	4:3:3:4:	C[6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	112.7485	0.206	2	112.7485	0.042	2	112.7485	0.042	2	112.7485	0.042	2	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:1:	4:3:1:1:	4:4:3:1:	C[3x6]-4:C[6,6]-4:O-1:	C[6x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(O)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(O){3|C<4>,4|H<1>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	111.2960	0.064	2	111.2960	0.004	2	111.2960	0.004	2	111.8247	1.090	4	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:1:	4:3:1:1:	4:4:3:1:	C[3x6]-4:C[6,6]-4:O-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:F-1:	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(O)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(F)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(O){2|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|F<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(F){1|N<4>,6|H<1>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.8247	1.090	4	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:1:	4:3:1:1:	4:4:3:1:	C[6,6]-4:C[3x6]-4:O-1:	C[5,5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(O)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.3900	0.000	1	113.3900	0.000	1	113.3900	0.000	1	111.8247	1.090	4	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:1:	4:3:2:2:	4:3:3:1:	C[6,6]-4:C[3x6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(O)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,2|O<2>}	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:1:	4:3:4:1:	4:3:3:1:	C[3x6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H){1|C<2>,2|C<3>,3|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<4>,1|N<4>,3|H<1>}	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[3x6]-4:C[6,6]-4:C-3:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:3:	4:3:1:1:	4:3:3:2:	C[6,6]-4:C[3x6]-4:C-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(CHH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi){2|C<4>,5|H<1>}	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[6,6]-4:C[3x6]-4:C-3:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H){3|C<4>,4|H<1>}	111.0970	0.000	1	111.0970	0.000	1	111.0970	0.000	1	111.0970	0.000	1	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:3:	4:3:2:1:	4:4:3:1:	C[3x6]-4:C[6,6]-4:C-3:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,2|O<2>,3|H<1>}	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	111.9822	0.454	4	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:3:	4:3:2:1:	4:4:3:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH){3|C<4>,4|H<1>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.4835	0.029	2	111.4835	0.001	2	111.6733	0.109	3	111.9822	0.454	4	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:3:	4:3:2:1:	4:4:3:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH){3|C<4>,4|H<1>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.0530	0.000	1	112.0530	0.000	1	111.6733	0.109	3	111.9822	0.454	4	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[3x6]	4:4:3:	4:3:3:4:	3:3:3:1:	C[6,6]-4:C[3x6]-4:C-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:P[6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	112.1801	1.587	18	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[4x6]	4:4:1:	4:3:4:1:	4:4:3:1:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]CH)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:3:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5a,6]-3:C[6,6]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(O)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H)	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:3:3:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(O){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:1:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	112.1455	0.026	2	112.1455	0.001	2	112.1455	0.001	2	112.1455	0.001	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:3:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(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[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	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[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	114.5770	0.000	1	114.5770	0.000	1	114.3793	0.071	3	114.6458	0.247	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:3:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(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[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	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[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	114.2805	0.289	2	114.2805	0.084	2	114.3793	0.071	3	114.6458	0.247	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:3:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)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[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	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[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	114.9123	0.578	3	114.9123	0.334	3	114.9123	0.334	3	114.6458	0.247	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:3:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO)	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	113.1100	0.000	1	113.1100	0.000	1	113.1100	0.000	1	113.1100	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:4:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<3>,4|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{2|H<1>,3|C<3>,4|C<4>}	112.1320	0.216	2	111.4218	0.344	8	111.4218	0.344	8	111.4218	0.344	8	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:4:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<4>,4|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<5>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<5>,2|H<1>,3|C<3>,4|C<4>}	111.3610	0.512	2	111.4218	0.344	8	111.4218	0.344	8	111.4218	0.344	8	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:4:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<4>,4|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<6>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<6>,2|H<1>,3|C<3>,4|C<4>}	110.4760	0.000	1	111.4218	0.344	8	111.4218	0.344	8	111.4218	0.344	8	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:4:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<4>,4|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Cu<5>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Cu<5>,2|H<1>,3|C<3>,4|C<4>}	111.4450	0.156	2	111.4218	0.344	8	111.4218	0.344	8	111.4218	0.344	8	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:4:	3:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6a]C[6]2)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6,6](C[6,6]C[6a]C[6]2)2(O){2|N<4>,4|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Zn<5>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Zn<5>,2|H<1>,3|C<3>,4|C<4>}	111.0220	0.000	1	111.4218	0.344	8	111.4218	0.344	8	111.4218	0.344	8	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:Cl-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2Cl)(O)	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2Cl)(O){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|Cl<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl){2|C<3>,4|C<4>}	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:4:	3:4:4:3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,3|H<1>}	114.1790	0.000	1	114.1790	0.000	1	114.1790	0.000	1	114.1790	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:3:4:4:	4:3:4:3:	C[6,6]-4:C[6,6]-4:O-1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	112.6142	0.553	4	112.6142	0.306	4	112.6142	0.306	4	112.6142	0.306	4	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:2:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.9425	0.541	2	110.8232	0.155	6	110.8232	0.155	6	110.8232	0.155	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:2:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.7730	0.000	1	110.8232	0.155	6	110.8232	0.155	6	110.8232	0.155	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:2:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.7603	0.470	3	110.8232	0.155	6	110.8232	0.155	6	110.8232	0.155	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:3:	3:4:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)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[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	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[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH){2|C<4>,3|C<3>}	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	112.7455	0.028	2	112.7455	0.001	2	112.5258	0.079	4	112.4578	0.082	5	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,5|C<4>}	112.3060	0.205	2	112.3060	0.042	2	112.5258	0.079	4	112.4578	0.082	5	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:I-1:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Si<4>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	112.4578	0.082	5	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:3:3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	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>}	114.5800	0.000	2	114.5800	0.000	2	114.5800	0.000	2	114.5800	0.000	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	114.1577	0.290	4	114.1312	0.067	5	114.0210	0.126	6	114.0210	0.126	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	114.0250	0.000	1	114.1312	0.067	5	114.0210	0.126	6	114.0210	0.126	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	113.4700	0.000	1	113.4700	0.000	1	114.0210	0.126	6	114.0210	0.126	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	113.7980	0.000	1	113.7980	0.000	1	113.6430	0.048	2	113.6430	0.048	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:3:4:	3:4:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	113.4880	0.000	1	113.4880	0.000	1	113.6430	0.048	2	113.6430	0.048	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	113.2595	0.657	2	113.2595	0.432	2	113.2432	0.467	5	113.2432	0.467	5	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3){3|C<4>,3|H<1>}	112.2570	0.000	1	112.2570	0.000	1	113.2432	0.467	5	113.2432	0.467	5	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|Cl<1>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|O<1>,2|C<4>,2|H<1>}	113.7920	0.000	1	113.7920	0.000	1	113.2432	0.467	5	113.2432	0.467	5	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	113.6480	0.000	1	113.6480	0.000	1	113.2432	0.467	5	113.2432	0.467	5	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(O){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:3:	3:4:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	3:4:4:4:	4:3:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H){3|H<1>,7|C<4>}	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:1:1:	4:3:3:2:	C[6,6]-4:C[6,6]-4:O-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:O-2:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH){3|C<4>,4|H<1>}	118.2360	0.000	1	118.2360	0.000	1	118.2360	0.000	1	118.2360	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:1:1:	4:3:4:2:	C[6,6]-4:C[6,6]-4:O-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO){3|C<4>,4|H<1>}	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:2:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:2:4:	4:3:3:2:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(O)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.4750	0.475	2	111.4750	0.226	2	111.4750	0.226	2	111.4750	0.226	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:3:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)2(H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)2(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:3:1:	4:3:2:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O){1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:3:2:	4:3:2:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]H)(O)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]H)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	111.5180	0.000	1	111.5180	0.000	1	111.5180	0.000	1	111.5180	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	113.0230	0.578	2	113.0230	0.335	2	112.8877	0.222	3	112.8877	0.222	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)2(O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	112.6170	0.000	1	112.6170	0.000	1	112.8877	0.222	3	112.8877	0.222	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H){3|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H){2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H){1|Pd<5>,3|H<1>,5|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H){1|Pd<5>,3|H<1>,5|C<4>}	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(O)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)2(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	112.1780	0.000	1	112.1780	0.000	1	111.4853	0.267	4	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)2(O)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	111.4020	0.000	1	111.4020	0.000	1	111.4853	0.267	4	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)2(O)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	111.4350	0.000	1	111.4350	0.000	1	111.4853	0.267	4	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)2(O)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	110.9260	0.000	1	110.9260	0.000	1	111.4853	0.267	4	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(O)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	111.8520	0.231	4	111.8520	0.053	4	111.8520	0.053	4	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	111.7139	0.237	17	111.7122	0.047	20	111.6052	0.131	23	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	111.7027	0.036	3	111.7122	0.047	20	111.6052	0.131	23	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	110.6070	0.000	1	110.8917	0.109	3	111.6052	0.131	23	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	110.8140	0.000	1	110.8917	0.109	3	111.6052	0.131	23	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	111.2540	0.000	1	110.8917	0.109	3	111.6052	0.131	23	111.4394	1.042	33	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:3:	4:3:4:3:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)2(O){2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	111.1400	0.000	1	111.1400	0.000	1	111.1648	1.885	14	111.1648	1.885	14	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:3:	4:3:4:3:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)2(O){2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	111.0277	0.812	9	110.8316	0.635	12	111.1648	1.885	14	111.1648	1.885	14	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:3:	4:3:4:3:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)2(O){2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	110.2433	0.406	3	110.8316	0.635	12	111.1648	1.885	14	111.1648	1.885	14	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:3:	4:3:4:3:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)2(O){1|N<3>,1|P<4>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Pt<4>,3|C<3>,4|C<4>}	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Pt<4>,3|C<3>,4|C<4>}	115.1880	0.000	1	115.1880	0.000	1	111.1648	1.885	14	111.1648	1.885	14	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	3:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	112.3470	0.000	1	112.0290	0.202	2	112.0290	0.202	2	112.0290	0.202	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	3:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	111.7110	0.000	1	112.0290	0.202	2	112.0290	0.202	2	112.0290	0.202	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	3:4:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,5|C<4>}	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	113.9203	0.454	3	113.9203	0.206	3	113.9203	0.206	3	113.9203	0.206	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	113.0407	0.086	3	113.0407	0.007	3	113.0407	0.007	3	113.0407	0.007	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	4:3:4:2:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]O)(O)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]O)(O){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,6|C<4>}	112.7730	0.315	2	112.7730	0.099	2	112.7730	0.099	2	112.7730	0.099	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	114.8630	0.182	2	114.8630	0.033	2	114.8630	0.033	2	114.8630	0.033	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)2(O)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[6]2H)2(O){2|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>,4|C<3>}	111.3565	0.491	2	111.3565	0.242	2	111.3565	0.242	2	111.3565	0.242	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:1:	4:4:3:4:	3:4:3:1:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6]2H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H){6|C<4>}	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:2:	4:3:1:1:	4:3:4:2:	C[6,6]-4:C[6,6]-4:N-2:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH){3|C<4>,4|H<1>}	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:2:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:N-2:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(NN[5])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(NN[5]){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	111.7880	0.000	1	111.7880	0.000	1	111.7880	0.000	1	111.7880	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:2:	4:3:4:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6]H)(NO)	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6]H)(NO){1|N<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:2:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:N-2:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(NN)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(NN){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	111.5585	0.548	2	111.5585	0.300	2	111.5585	0.300	2	111.5585	0.300	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:2:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[6,6]-4:N-2:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)2(NO)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H)	C[6,6](C[6,6]C[6]2H)2(NO){2|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H){2|C<4>,3|H<1>,4|C<3>}	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:1:	3:2:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:S[6]-2:C[6]-4:C-4:	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:3:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:N-3:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	110.5763	0.509	7	110.5763	0.259	7	110.5763	0.259	7	110.5763	0.259	7	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:3:4:4:	3:4:4:2:	C[6,6]-4:C[6,6]-4:C-3:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2O)(CHH)	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2O)(CHH){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH){2|C<3>,4|C<4>}	112.2046	0.255	5	112.2046	0.065	5	112.2046	0.065	5	112.2046	0.065	5	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:2:1:	3:4:4:2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,8|H<1>}	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:3:1:	3:4:2:2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH){1|C<3>,2|H<1>,4|C<4>}	113.9780	0.000	1	113.9780	0.000	1	113.9780	0.000	1	113.9780	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:3:3:	3:4:3:4:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)2(CHH)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)2(CHH){2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.6650	0.242	2	112.6650	0.058	2	112.6650	0.058	2	112.6650	0.058	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:3:4:	3:4:3:2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	116.8070	0.161	2	116.8070	0.026	2	116.8070	0.026	2	116.8070	0.026	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:3:4:	3:4:4:3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	118.3740	0.281	2	118.3740	0.079	2	118.3740	0.079	2	118.3740	0.079	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:3:4:	4:3:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(C[5]C[5,5a]2)	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(C[5]C[5,5a]2){2|C<4>,4|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	109.5553	25.457	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	109.5553	25.457	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	104.2680	0.000	1	104.2680	0.000	1	104.2680	0.000	1	109.5553	25.457	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	117.1980	0.000	1	117.1980	0.000	1	117.1980	0.000	1	117.1980	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:3:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){5|C<4>,6|H<1>}	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:4:3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	117.9000	0.000	1	118.0420	0.040	2	118.5915	1.164	4	118.5915	1.164	4	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:4:3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	118.1840	0.000	1	118.0420	0.040	2	118.5915	1.164	4	118.5915	1.164	4	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:4:3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	119.1410	1.498	2	119.1410	2.243	2	118.5915	1.164	4	118.5915	1.164	4	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:2:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	115.3270	0.000	1	115.3270	0.000	1	115.3270	0.000	1	115.3270	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:3:2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|C<3>,3|C<4>,5|H<1>}	115.7890	0.000	2	115.7890	0.000	2	115.7890	0.000	2	115.9603	0.088	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:3:2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,3|H<1>,4|C<4>}	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	115.9603	0.088	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	117.4035	0.346	2	117.4035	0.120	2	117.4035	0.120	2	117.4035	0.120	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:4:2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>,4|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH){2|C<3>,4|C<4>,4|H<1>}	117.0800	0.000	1	117.0800	0.000	1	117.0800	0.000	1	117.0800	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:4:3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){1|C<3>,3|C<4>,5|H<1>}	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:3:3:	3:4:3:4:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH){2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	112.2723	0.331	3	112.2723	0.109	3	112.2723	0.109	3	112.2723	0.109	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:3:3:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	115.3370	0.000	1	115.3370	0.000	1	115.3370	0.000	1	115.3370	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	114.2750	0.034	2	114.2750	0.001	2	114.2750	0.001	2	114.2750	0.001	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	118.4450	2.865	2	118.4450	8.209	2	118.4450	8.209	2	116.7367	12.860	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	116.7367	12.860	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	113.1030	0.000	1	113.1030	0.000	1	114.9283	1.519	4	115.4420	1.602	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	115.5310	0.000	1	115.5367	0.058	3	114.9283	1.519	4	115.4420	1.602	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	115.7800	0.000	1	115.5367	0.058	3	114.9283	1.519	4	115.4420	1.602	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	115.2990	0.000	1	115.5367	0.058	3	114.9283	1.519	4	115.4420	1.602	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	116.8470	0.000	1	116.4695	0.285	2	116.4695	0.285	2	115.4420	1.602	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	116.0920	0.000	1	116.4695	0.285	2	116.4695	0.285	2	115.4420	1.602	6	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(CCH)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(CCH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	110.6480	0.362	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	110.3195	0.275	2	110.3195	0.076	2	110.3195	0.076	2	110.6480	0.362	3	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	4:3:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	120.5555	0.187	2	120.5555	0.035	2	120.5555	0.035	2	120.5555	0.035	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:2:	3:4:2:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	115.3810	0.759	2	115.3810	0.577	2	115.3810	0.577	2	115.3810	0.577	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:3:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	120.9510	0.000	1	120.5740	0.145	3	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	120.3855	0.276	2	120.5740	0.145	3	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	120.1195	0.537	4	120.3200	0.270	6	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,3|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	120.6970	0.000	1	120.3200	0.270	6	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	120.7450	0.000	1	120.3200	0.270	6	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	117.7930	2.106	3	120.3821	1.982	35	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	118.9340	0.113	2	120.3821	1.982	35	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	120.6437	0.727	9	120.3821	1.982	35	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	120.7889	1.267	15	120.3821	1.982	35	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	122.1050	0.000	1	120.3821	1.982	35	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	120.4786	0.584	5	120.3821	1.982	35	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	122.8410	0.000	1	122.8410	0.000	1	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,7|C<4>}	120.2290	0.000	1	120.2290	0.000	1	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){2|O<2>,4|H<1>,6|C<4>}	120.2505	0.070	2	120.2505	0.005	2	120.4289	1.599	48	120.4289	1.599	48	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	119.8965	1.579	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	3:4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	119.8965	1.579	2	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	4:3:3:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,8|C<4>}	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	119.7430	0.442	4	119.7430	0.195	4	119.7430	0.195	4	119.7430	0.195	4	114.6825	14.564	258	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	111.0805	0.663	2	111.0805	0.439	2	111.0805	0.439	2	111.0805	0.439	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:2:1:	3:3:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	114.0185	0.617	2	114.0185	0.381	2	114.0185	0.381	2	114.0185	0.381	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:2:1:	3:3:2:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:2:1:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:3:4:	3:4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	118.0890	0.000	1	118.0890	0.000	1	118.0890	0.000	1	118.0890	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	111.4967	1.094	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	110.4090	0.000	1	110.4090	0.000	1	110.9975	0.693	2	111.4967	1.094	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	111.5860	0.000	1	111.5860	0.000	1	110.9975	0.693	2	111.4967	1.094	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:2:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{3|O<2>,4|C<4>}	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:3:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	112.8430	0.699	2	112.6263	0.385	3	112.6263	0.385	3	112.6263	0.385	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:3:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	112.1930	0.000	1	112.6263	0.385	3	112.6263	0.385	3	112.6263	0.385	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:4:	3:3:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH){1|O<2>,1|S<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2{2|H<1>,5|C<4>}	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	114.6177	1.494	9	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:4:	3:3:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{5|C<4>}	114.6530	0.830	4	114.4603	1.452	8	114.4603	1.452	8	114.6177	1.494	9	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:4:	3:3:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	113.1900	1.771	2	114.4603	1.452	8	114.4603	1.452	8	114.6177	1.494	9	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:4:	3:3:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	115.3450	0.146	2	114.4603	1.452	8	114.4603	1.452	8	114.6177	1.494	9	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	114.1880	0.000	1	114.1880	0.000	1	113.8920	0.175	2	113.8920	0.175	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	113.5960	0.000	1	113.5960	0.000	1	113.8920	0.175	2	113.8920	0.175	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	3:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:2:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:2:4:4:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:2:4:4:	3:4:4:4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:3:3:1:	3:2:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	112.3790	0.334	2	112.3790	0.111	2	112.3790	0.111	2	112.3790	0.111	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:3:3:2:	3:2:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	116.5320	1.366	2	116.5320	1.866	2	116.5320	1.866	2	115.5860	3.618	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H){1|N<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	115.5860	3.618	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	114.7230	0.000	1	114.7230	0.000	1	114.1537	5.243	3	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	116.1050	0.000	1	116.1050	0.000	1	114.1537	5.243	3	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	111.6330	0.000	1	111.6330	0.000	1	114.1537	5.243	3	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|B<3>,1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,3|H<1>}	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	116.8230	0.000	1	116.8230	0.000	1	116.4825	0.232	2	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|N<3>,1|S<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	116.1420	0.000	1	116.1420	0.000	1	116.4825	0.232	2	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	110.4920	0.000	1	110.4920	0.000	1	112.4313	6.102	4	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.4680	0.000	1	114.4680	0.000	1	112.4313	6.102	4	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.6620	0.000	1	114.6620	0.000	1	112.4313	6.102	4	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	110.1030	0.000	1	110.1030	0.000	1	112.4313	6.102	4	114.0868	4.513	13	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:2:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){1|O<2>,2|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|H<1>,6|C<4>}	115.4680	0.000	1	116.3860	1.685	2	116.3860	1.685	2	116.3860	1.685	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|H<1>,5|C<4>}	117.3040	0.000	1	116.3860	1.685	2	116.3860	1.685	2	116.3860	1.685	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	114.6016	0.564	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	114.2947	0.631	3	114.3330	0.271	4	114.3330	0.271	4	114.6016	0.564	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){3|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|O<1>,5|C<4>}	114.4480	0.000	1	114.3330	0.271	4	114.3330	0.271	4	114.6016	0.564	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2{1|O<2>,6|C<4>}	112.9095	0.197	4	112.9095	0.039	4	112.9095	0.039	4	112.9576	0.041	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	112.9576	0.041	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	117.9260	0.000	1	117.9260	0.000	1	118.6715	1.112	2	118.6715	1.112	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	119.4170	0.000	1	119.4170	0.000	1	118.6715	1.112	2	118.6715	1.112	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	114.8590	0.000	1	114.8590	0.000	1	114.8590	0.000	1	114.8590	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:3:4:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:C[6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.5820	0.000	1	116.5820	0.000	1	116.5820	0.000	1	116.5820	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:2:	3:3:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:2:	3:4:2:4:	4:3:1:1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	114.0070	0.203	7	114.0070	0.041	7	114.0070	0.041	7	114.0070	0.041	7	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:2:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]N[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]N[6]){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	115.5650	0.653	2	115.5650	0.427	2	115.5650	0.427	2	115.5650	0.427	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:2:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	116.0070	0.000	1	116.0070	0.000	1	116.0070	0.000	1	116.0070	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	116.5770	0.000	1	116.5770	0.000	1	116.5770	0.000	1	116.5770	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	117.0883	1.250	3	117.0883	1.561	3	116.4292	2.778	4	116.4292	2.778	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.4520	0.000	1	114.4520	0.000	1	116.4292	2.778	4	116.4292	2.778	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:3:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	115.3870	0.000	1	115.3870	0.000	1	115.3870	0.000	1	115.3870	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	119.9010	0.000	1	119.9010	0.000	1	118.9402	0.484	4	118.9402	0.484	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.3170	0.000	1	118.6200	0.111	3	118.9402	0.484	4	118.9402	0.484	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.7715	0.289	2	118.6200	0.111	3	118.9402	0.484	4	118.9402	0.484	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	112.1810	0.117	2	112.1810	0.014	2	112.1810	0.014	2	112.1810	0.014	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.5290	0.000	1	116.5290	0.000	1	115.2835	3.103	2	115.2835	3.103	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.0380	0.000	1	114.0380	0.000	1	115.2835	3.103	2	115.2835	3.103	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:2:1:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	109.8270	0.000	2	109.8270	0.000	2	109.8270	0.000	2	109.8270	0.000	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	115.4162	0.636	5	115.4162	0.404	5	115.4162	0.404	5	115.4162	0.404	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[5a,6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.2290	0.000	1	114.2290	0.000	1	114.2020	0.014	3	114.0340	0.122	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	114.3050	0.000	1	114.1885	0.027	2	114.2020	0.014	3	114.0340	0.122	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.0720	0.000	1	114.1885	0.027	2	114.2020	0.014	3	114.0340	0.122	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	113.5300	0.000	1	113.5300	0.000	1	113.5300	0.000	1	114.0340	0.122	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.3295	0.162	2	118.3295	0.026	2	118.3295	0.026	2	118.3295	0.026	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.6230	0.164	4	116.6230	0.027	4	116.4432	0.788	6	116.4432	0.788	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.4010	0.000	1	117.4010	0.000	1	116.4432	0.788	6	116.4432	0.788	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.7660	0.000	1	114.7660	0.000	1	116.4432	0.788	6	116.4432	0.788	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	118.3550	0.000	1	118.4340	0.012	2	118.2965	0.032	4	118.2965	0.032	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	118.5130	0.000	1	118.4340	0.012	2	118.2965	0.032	4	118.2965	0.032	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	118.2250	0.000	1	118.1590	0.009	2	118.2965	0.032	4	118.2965	0.032	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	118.0930	0.000	1	118.1590	0.009	2	118.2965	0.032	4	118.2965	0.032	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	113.7253	0.240	3	113.7253	0.058	3	113.7253	0.058	3	113.7253	0.058	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:B[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H){1|B<4>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,4|C<3>,4|H<1>}	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	114.6530	1.312	7	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.0810	0.000	1	114.9470	1.101	5	114.6107	1.560	6	114.6530	1.312	7	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	114.6635	0.966	4	114.9470	1.101	5	114.6107	1.560	6	114.6530	1.312	7	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	112.9290	0.000	1	112.9290	0.000	1	114.6107	1.560	6	114.6530	1.312	7	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	114.0090	0.000	1	114.0090	0.000	1	114.0090	0.000	1	114.0090	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	115.7450	0.000	1	116.1597	0.522	3	116.1597	0.522	3	116.1597	0.522	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	116.3670	0.887	2	116.1597	0.522	3	116.1597	0.522	3	116.1597	0.522	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:3:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	121.3110	0.000	1	121.3110	0.000	1	118.0983	7.741	3	118.0983	7.741	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:3:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	116.4920	0.000	2	116.4920	0.000	2	118.0983	7.741	3	118.0983	7.741	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	114.6800	0.000	1	114.6777	0.139	6	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	114.3180	0.000	1	114.6777	0.139	6	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	114.6340	0.027	2	114.6777	0.139	6	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	114.9000	0.679	2	114.6777	0.139	6	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.7850	0.229	2	116.7740	0.016	5	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	116.8200	0.000	1	116.7740	0.016	5	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	116.7400	0.091	2	116.7740	0.016	5	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	116.4270	0.000	1	116.4270	0.000	1	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.6370	0.000	1	116.6370	0.000	1	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,4|C<4>}	113.6910	0.000	1	113.6910	0.000	1	115.6208	1.396	14	115.6208	1.396	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:1:	3:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	114.3520	0.000	1	113.7592	0.110	5	113.7592	0.110	5	113.7592	0.110	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:1:	3:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	113.6110	0.025	4	113.7592	0.110	5	113.7592	0.110	5	113.7592	0.110	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	113.0570	1.122	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1	113.0570	1.122	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:2:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	113.0170	0.000	1	113.0170	0.000	1	113.0170	0.000	1	115.8818	3.639	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	117.9980	0.635	2	117.9980	0.403	2	117.9980	0.403	2	115.8818	3.639	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	115.4710	0.000	1	115.4710	0.000	1	115.4260	0.003	3	115.8818	3.639	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	115.4035	0.063	2	115.4035	0.004	2	115.4260	0.003	3	115.8818	3.639	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	115.7946	0.586	5	115.7946	0.343	5	115.7946	0.343	5	115.7946	0.343	5	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	115.7170	0.000	1	115.7170	0.000	1	115.7170	0.000	1	115.7170	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	4:3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.2050	0.233	2	118.1300	0.044	3	118.1300	0.044	3	118.1300	0.044	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.9800	0.000	1	118.1300	0.044	3	118.1300	0.044	3	118.1300	0.044	3	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.0155	0.022	2	115.0155	0.000	2	115.0155	0.000	2	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.7390	0.157	2	115.7390	0.025	2	115.7561	0.462	43	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.8655	0.286	2	115.6383	0.276	6	115.7561	0.462	43	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.5247	0.617	4	115.6383	0.276	6	115.7561	0.462	43	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.6249	0.355	8	115.6639	0.108	10	115.7561	0.462	43	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.8200	0.173	2	115.6639	0.108	10	115.7561	0.462	43	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.3088	0.773	9	115.8226	0.698	25	115.7561	0.462	43	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	116.0629	0.735	14	115.8226	0.698	25	115.7561	0.462	43	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	116.4530	0.991	2	115.8226	0.698	25	115.7561	0.462	43	115.7232	0.465	45	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.7065	0.131	2	112.7065	0.017	2	112.7065	0.017	2	113.3522	0.584	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|O<1>,2|H<1>,3|C<4>}	113.9980	0.260	2	113.9980	0.068	2	113.9980	0.068	2	113.3522	0.584	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	113.7860	0.000	1	113.7860	0.000	1	113.7860	0.000	1	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	115.7980	0.000	1	116.3590	0.629	2	117.8440	6.930	3	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<2>,3|C<3>,3|C<4>}	116.9200	0.000	1	116.3590	0.629	2	117.8440	6.930	3	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	120.8140	0.000	1	120.8140	0.000	1	117.8440	6.930	3	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	115.2280	0.000	1	115.2280	0.000	1	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.6910	0.000	1	115.1882	1.205	14	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	115.1438	0.956	5	115.1882	1.205	14	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	118.2370	0.000	1	115.1882	1.205	14	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	114.7126	0.379	7	115.1882	1.205	14	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	116.8150	0.000	1	116.4130	2.034	3	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	116.2120	1.956	2	116.4130	2.034	3	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	115.7990	0.000	1	115.2525	0.597	2	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	114.7060	0.000	1	115.2525	0.597	2	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	113.9560	0.000	1	113.7295	0.103	2	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	113.5030	0.000	1	113.7295	0.103	2	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	114.4140	0.000	1	114.4140	0.000	1	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	119.2590	0.000	1	119.2590	0.000	1	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.1789	0.970	16	116.1789	0.941	16	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	114.0710	0.000	1	114.0710	0.000	1	115.6505	1.717	41	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	115.6142	3.137	46	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){3|H<1>,4|C<4>}	115.2210	0.742	4	115.2210	0.550	4	115.2210	0.550	4	115.2210	0.550	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2{4|H<1>,5|C<4>}	115.4760	0.000	1	116.0310	0.616	2	116.0310	0.616	2	115.8482	0.392	18	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2{4|H<1>,5|C<4>}	116.5860	0.000	1	116.0310	0.616	2	116.0310	0.616	2	115.8482	0.392	18	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	115.8630	0.000	1	115.8114	0.450	14	115.8030	0.419	15	115.8482	0.392	18	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	115.6033	0.535	11	115.8114	0.450	14	115.8030	0.419	15	115.8482	0.392	18	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	116.9020	0.000	1	115.8114	0.450	14	115.8030	0.419	15	115.8482	0.392	18	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	116.9580	0.000	1	115.8114	0.450	14	115.8030	0.419	15	115.8482	0.392	18	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	115.6860	0.000	1	115.6860	0.000	1	115.8030	0.419	15	115.8482	0.392	18	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2{3|C<4>,4|H<1>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	115.8482	0.392	18	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	117.4120	0.000	1	117.4120	0.000	1	117.0105	0.322	2	117.0105	0.322	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{2|C<4>,2|H<1>,4|C<3>}	116.6090	0.000	1	116.6090	0.000	1	117.0105	0.322	2	117.0105	0.322	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.0610	0.000	1	115.0610	0.000	1	115.8295	1.181	2	115.8295	1.181	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.5980	0.000	1	116.5980	0.000	1	115.8295	1.181	2	115.8295	1.181	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:2:	4:3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H){1|H<1>,2|O<2>,5|C<4>}	116.2650	2.052	2	116.2650	4.211	2	116.2650	4.211	2	116.2650	4.211	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	116.9380	0.000	1	116.9380	0.000	1	116.3830	0.616	2	116.3830	0.616	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	115.8280	0.000	1	115.8280	0.000	1	116.3830	0.616	2	116.3830	0.616	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-3:H-1:H-1:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:4:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:O-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	119.3330	0.494	2	119.3330	0.244	2	119.3330	0.244	2	119.3330	0.244	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.7862	0.339	4	116.7862	0.115	4	116.7862	0.115	4	116.9158	0.113	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.2670	0.000	1	117.2670	0.000	1	117.1750	0.017	2	116.9158	0.113	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.0830	0.000	1	117.0830	0.000	1	117.1750	0.017	2	116.9158	0.113	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	115.7030	0.000	1	115.7030	0.000	1	117.0535	1.613	4	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	118.7430	0.000	1	118.7430	0.000	1	117.0535	1.613	4	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.8840	0.320	2	116.8840	0.102	2	117.0535	1.613	4	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:F-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|C<3>,1|F<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	113.5270	0.000	1	113.5270	0.000	1	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	115.9340	0.000	1	115.9340	0.000	1	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.3510	0.000	1	116.3510	0.000	1	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.4698	0.598	6	116.7345	0.259	67	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.7690	0.111	3	116.7345	0.259	67	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.9617	0.541	8	116.7345	0.259	67	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.7733	0.452	48	116.7345	0.259	67	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	116.0160	0.000	1	116.7345	0.259	67	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	115.2570	0.000	1	116.7345	0.259	67	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.4142	1.062	5	116.4142	1.128	5	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2{3|H<1>,4|C<4>}	116.5193	1.235	3	116.5193	1.524	3	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	117.1835	0.538	2	117.1835	0.290	2	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	117.3720	0.000	1	116.8419	0.191	7	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{3|H<1>,4|C<4>}	116.7535	0.404	6	116.8419	0.191	7	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	117.0220	0.000	1	116.5720	0.247	3	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	116.3470	0.437	2	116.5720	0.247	3	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	116.3763	0.255	3	116.3495	0.123	8	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	116.1507	0.480	3	116.3495	0.123	8	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	116.6075	0.120	2	116.3495	0.123	8	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	116.9290	0.000	1	116.3419	0.320	122	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	117.6450	0.000	1	116.3419	0.320	122	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.0200	0.000	1	116.3419	0.320	122	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	116.0560	0.000	1	116.3419	0.320	122	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	115.4490	0.561	2	116.3419	0.320	122	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	116.3570	1.201	2	116.3419	0.320	122	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	116.3545	0.547	108	116.3419	0.320	122	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	116.1930	0.442	6	116.3419	0.320	122	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,6|C<4>}	116.6635	0.076	2	116.6807	0.004	3	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,7|C<4>}	116.7150	0.000	1	116.6807	0.004	3	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	116.3330	0.061	2	116.3330	0.004	2	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	117.1470	0.000	1	117.1470	0.000	1	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	115.8530	0.000	1	116.0895	0.403	4	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	115.7335	0.025	2	116.0895	0.403	4	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.0380	0.000	1	116.0895	0.403	4	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.4100	0.000	1	116.4100	0.000	1	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.9760	0.687	2	117.9760	0.472	2	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.0480	0.542	2	117.0480	0.293	2	116.4928	0.394	235	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	116.5142	0.430	241	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[5,6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H){1|C<3>,5|C<4>,7|H<1>}	118.1180	0.000	1	118.1180	0.000	1	118.1180	0.000	1	117.9050	0.344	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	117.6140	0.403	2	117.6140	0.162	2	117.8624	0.416	5	117.9050	0.344	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	118.5800	0.000	1	118.5800	0.000	1	117.8624	0.416	5	117.9050	0.344	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	117.7520	0.916	2	117.7520	0.840	2	117.8624	0.416	5	117.9050	0.344	6	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	118.7005	0.569	2	118.7005	0.324	2	118.7005	0.324	2	118.7005	0.324	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H){3|H<1>,4|C<4>}	120.6130	0.000	1	120.6130	0.000	1	117.6428	8.546	4	117.6428	8.546	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	115.1865	0.988	2	116.6527	6.937	3	117.6428	8.546	4	117.6428	8.546	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	119.5850	0.000	1	116.6527	6.937	3	117.6428	8.546	4	117.6428	8.546	4	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,6|C<4>}	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	115.0510	1.332	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	115.0510	1.332	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H){1|C<3>,1|O<1>,6|C<4>}	116.4090	0.000	1	116.4090	0.000	1	116.4090	0.000	1	115.7620	0.837	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H){2|C<3>,5|C<4>}	115.1150	0.000	1	115.1150	0.000	1	115.1150	0.000	1	115.7620	0.837	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	116.4319	0.300	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	116.1620	0.000	1	116.2332	0.065	4	116.2696	0.198	11	116.4319	0.300	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	116.2570	0.306	3	116.2332	0.065	4	116.2696	0.198	11	116.4319	0.300	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	116.3424	0.341	5	116.1795	0.252	6	116.2696	0.198	11	116.4319	0.300	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	115.3650	0.000	1	116.1795	0.252	6	116.2696	0.198	11	116.4319	0.300	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	116.9560	0.000	1	116.9560	0.000	1	116.2696	0.198	11	116.4319	0.300	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	117.0235	0.754	2	117.0235	0.569	2	117.0235	0.569	2	116.4319	0.300	14	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:C-2:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	116.7925	0.317	2	116.7925	0.101	2	116.7925	0.101	2	116.7925	0.101	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	118.4920	0.000	1	118.4920	0.000	1	117.0895	3.934	2	117.0895	3.934	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	115.6870	0.000	1	115.6870	0.000	1	117.0895	3.934	2	117.0895	3.934	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	3:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	119.4890	0.000	1	119.4890	0.000	1	119.4890	0.000	1	119.4890	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	116.6050	89.085	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	123.2790	0.000	1	123.2790	0.000	1	123.2790	0.000	1	116.6050	89.085	2	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6,6]	C[6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	115.9442	2.751	591	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	3:3:2:2:	C[3x6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,6|H<1>}	114.7010	0.335	2	114.7010	0.112	2	114.7010	0.112	2	114.7010	0.112	2	114.7010	0.112	2	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:3:4:	3:4:4:1:	4:3:4:2:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH){4|C<4>,5|H<1>}	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:2:	3:3:4:4:	3:3:2:1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a]){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H){2|C<4>,4|C<3>}	117.5430	0.000	1	117.5430	0.000	1	117.5430	0.000	1	117.5430	0.000	1	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:3:1:1:	3:2:2:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:O[6]-2:O[6]-2:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:3:2:1:	3:4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:3:3:4:	3:4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:F-1:	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F)	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|F<1>,6|C<3>,7|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F){1|C<4>,3|C<3>,4|H<1>}	115.9790	0.771	5	115.9790	0.595	5	115.9790	0.595	5	115.9790	0.595	5	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:3:4:1:	3:4:4:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.3110	0.000	1	117.3110	0.000	1	117.3110	0.000	1	117.3110	0.000	1	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	114.9550	0.000	1	114.9550	0.000	1	114.9550	0.000	1	114.9550	0.000	1	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	113.7680	0.139	2	113.7680	0.019	2	114.7662	1.545	5	114.7662	1.545	5	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	116.0990	0.000	1	116.1195	0.001	2	114.7662	1.545	5	114.7662	1.545	5	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	116.1400	0.000	1	116.1195	0.001	2	114.7662	1.545	5	114.7662	1.545	5	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	114.0560	0.000	1	114.0560	0.000	1	114.7662	1.545	5	114.7662	1.545	5	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	114.9320	0.272	2	114.9320	0.074	2	114.9320	0.074	2	114.9320	0.074	2	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	4:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	116.4715	0.713	2	116.4715	0.509	2	116.4715	0.509	2	116.4715	0.509	2	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:2:1:	3:4:4:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:4:1:	3:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	118.4705	0.244	2	118.4705	0.060	2	118.4705	0.060	2	118.4705	0.060	2	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	114.3920	0.171	2	114.3920	0.029	2	114.7180	0.333	3	114.7180	0.333	3	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	115.3700	0.000	1	115.3700	0.000	1	114.7180	0.333	3	114.7180	0.333	3	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:4:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){3|C<4>,6|H<1>}	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	115.4408	2.278	27	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	114.8130	0.000	1	114.8130	0.000	1	114.8130	0.000	1	114.8130	0.000	1	114.8130	0.000	1	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6x6]	C[6,6]	4:4:1:	4:4:4:3:	4:3:1:1:	C[6x6]-4:C[6,6]-4:O-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(O)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(O){5|C<4>,5|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(H)2{3|C<4>,4|H<1>}	113.5350	0.000	1	113.5350	0.000	1	113.5350	0.000	1	113.5350	0.000	1	113.7415	0.071	4	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6x6]	C[6,6]	4:4:1:	4:4:4:3:	4:3:2:2:	C[6x6]-4:C[6,6]-4:O-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]OO)(O)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]OO)(O){2|C<3>,3|C<4>,5|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2{3|C<4>,4|H<1>}	113.4990	0.000	1	113.8103	0.077	3	113.8103	0.077	3	113.8103	0.077	3	113.7415	0.071	4	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6,6]	C[6x6]	C[6,6]	4:4:1:	4:4:4:3:	4:3:2:2:	C[6x6]-4:C[6,6]-4:O-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]OO)(O)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]OO)(O){5|C<4>,5|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){3|C<4>,4|O<2>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2{3|C<4>,4|H<1>}	113.9660	0.098	2	113.8103	0.077	3	113.8103	0.077	3	113.8103	0.077	3	113.7415	0.071	4	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[3x6]	C[3x6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)2(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H)	C[6](C[3x6]C[3x6]2H)2(O){3|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	118.5453	0.506	4	118.5453	0.256	4	118.5453	0.256	4	118.5453	0.256	4	118.5453	0.256	4	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[3x6]	C[6]	4:4:1:	4:2:3:3:	4:3:1:1:	C[3x6]-4:C[6]-4:O-1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[5,6]HH)(O)	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	114.1650	0.000	1	114.1650	0.000	1	114.1650	0.000	1	114.1650	0.000	1	116.9150	8.110	4	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[3x6]	C[6]	4:4:1:	4:4:3:1:	3:2:1:1:	C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]HH)(H)	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	116.9150	8.110	4	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[3x6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6]-4:O-1:	C[6,6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(O)	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	116.3645	1.153	2	116.3645	1.330	2	116.3645	1.330	2	116.3645	1.330	2	116.9150	8.110	4	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[4x6]	C[6,6]	4:4:1:	4:4:4:3:	2:3:4:4:	C[4x6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	O[6]-2:C[6]-3:C[6]-4:C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2O[6])(O)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6,6]O)	C[6,6](O[6]C[3,6,6])(C[6]C[4x6]O)(C[6]C[6]HH)2	C[6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2O[6])(O){1|O<2>,6|C<4>,8|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6,6]O){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	C[6,6](O[6]C[3,6,6])(C[6]C[4x6]O)(C[6]C[6]HH)2{1|O<2>,2|H<1>,7|C<4>}	118.1970	0.000	1	118.1970	0.000	1	118.1970	0.000	1	118.1970	0.000	1	118.1970	0.000	1	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[4x6]	C[6]	4:4:1:	4:3:2:3:	4:3:1:1:	C[4x6]-4:C[6]-4:O-1:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O){2|C<3>,6|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	115.2872	0.687	5	115.1625	0.471	6	115.1625	0.471	6	115.1625	0.471	6	115.9362	1.102	12	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[4x6]	C[6]	4:4:1:	4:3:2:3:	4:3:1:1:	C[4x6]-4:C[6]-4:O-1:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O){2|C<3>,6|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	114.5390	0.000	1	115.1625	0.471	6	115.1625	0.471	6	115.1625	0.471	6	115.9362	1.102	12	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[4x6]	C[6]	4:4:1:	4:4:2:3:	4:3:1:1:	C[4x6]-4:C[6]-4:O-1:	C[4x6]-4:C[6,6]-4:O[6,6]-2:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(O)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(O){1|H<1>,8|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){5|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	116.5250	0.907	2	116.5250	0.822	2	116.5250	0.822	2	116.5250	0.822	2	115.9362	1.102	12	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[4x6]	C[6]	4:4:1:	4:4:4:3:	3:4:1:1:	C[4x6]-4:C[6]-4:O-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(O)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]O)	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{5|C<4>}	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	116.5040	0.296	3	115.9362	1.102	12	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[4x6]	C[6]	4:4:1:	4:4:4:3:	3:4:1:1:	C[4x6]-4:C[6]-4:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]S[6,6]HH)(C[6]C[6]O)	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(O){1|S<3>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]S[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.8085	0.187	2	116.8085	0.035	2	116.8085	0.035	2	116.5040	0.296	3	115.9362	1.102	12	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[4x6]	C[6]	4:4:1:	4:4:4:3:	4:3:1:1:	C[4x6]-4:C[6]-4:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]O)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]O)(H)2{8|C<4>}	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	115.9362	1.102	12	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<3>,6|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	117.3840	0.000	1	116.6150	0.494	3	116.6150	0.494	3	116.6150	0.494	3	117.0761	5.376	11	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:O-1:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<3>,6|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	116.2305	0.317	2	116.6150	0.494	3	116.6150	0.494	3	116.6150	0.494	3	117.0761	5.376	11	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	4:3:3:4:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O){3|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	118.5815	0.187	2	118.5815	0.035	2	118.5815	0.035	2	118.5815	0.035	2	117.0761	5.376	11	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6,6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3){1|C<3>,4|H<1>,5|C<4>}	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	117.0761	5.376	11	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6,6]	4:4:1:	4:4:3:2:	4:3:4:4:	C[6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[3,6,6]-4:C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6,6]O)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6,6]O)(O){1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	117.5600	1.287	2	117.5600	1.656	2	117.5600	1.656	2	117.5600	1.656	2	117.0761	5.376	11	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6,6]	4:4:2:	4:3:4:1:	2:3:4:1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	117.3400	0.000	1	117.3400	0.000	1	117.3400	0.000	1	117.3400	0.000	1	117.0761	5.376	11	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6,6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CHH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CHH){5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	113.9700	0.000	1	113.9700	0.000	1	113.9700	0.000	1	113.9700	0.000	1	117.0761	5.376	11	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6,6]	4:4:3:	4:4:3:1:	3:4:4:3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(CHH)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H)	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(CHH){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	112.9750	0.000	1	112.9750	0.000	1	112.9750	0.000	1	112.9750	0.000	1	117.0761	5.376	11	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:3:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2{1|O<2>,3|C<3>}	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:3:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	114.4650	0.000	1	114.4650	0.000	1	114.4650	0.000	1	114.4650	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	3:4:4:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.2600	0.000	1	115.2600	0.000	1	115.2420	0.001	2	117.1450	4.829	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.2240	0.000	1	115.2240	0.000	1	115.2420	0.001	2	117.1450	4.829	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	N[5,6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|S<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	119.0480	0.000	2	119.0480	0.000	2	119.0480	0.000	2	117.1450	4.829	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	115.6245	0.036	2	115.6245	0.001	2	115.6245	0.001	2	115.6245	0.001	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:1:	4:3:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<2>,1|C<3>,1|H<1>,5|C<4>}	121.5770	0.000	2	121.5770	0.000	2	121.5770	0.000	2	121.5770	0.000	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:3:	3:3:4:2:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:O-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]O)2(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	118.8575	0.086	2	118.8575	0.007	2	118.8575	0.007	2	118.8575	0.007	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:3:	3:3:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(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[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	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[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	117.4020	0.000	1	117.4020	0.000	1	117.4020	0.000	1	117.4020	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:3:4:2:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)2(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	118.6217	0.489	3	118.6217	0.239	3	118.5508	0.144	5	118.5508	0.144	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:3:4:2:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)2(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	118.4445	0.247	2	118.4445	0.061	2	118.5508	0.144	5	118.5508	0.144	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	115.8290	0.000	1	115.6097	0.188	3	115.3768	0.196	5	116.1542	1.740	9	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	115.5000	0.552	2	115.6097	0.188	3	115.3768	0.196	5	116.1542	1.740	9	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	115.0275	0.028	2	115.0275	0.001	2	115.3768	0.196	5	116.1542	1.740	9	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	118.8080	0.000	1	118.8080	0.000	1	117.3710	2.809	3	116.1542	1.740	9	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.7750	0.000	1	117.7750	0.000	1	117.3710	2.809	3	116.1542	1.740	9	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	115.5300	0.000	1	115.5300	0.000	1	117.3710	2.809	3	116.1542	1.740	9	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.3910	0.000	1	116.3910	0.000	1	116.3910	0.000	1	116.1542	1.740	9	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	117.3032	3.163	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	117.9403	2.190	3	117.9403	4.794	3	117.5185	3.908	4	117.3032	3.163	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	116.2530	0.000	1	116.2530	0.000	1	117.5185	3.908	4	117.3032	3.163	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	3:4:3:4:	4:3:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	117.7615	0.292	2	117.7615	0.085	2	117.7615	0.085	2	117.7615	0.085	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:2:2:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	115.7270	0.000	1	115.7270	0.000	1	115.7270	0.000	1	115.7270	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:2:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3){5|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	114.3558	0.797	5	114.3558	0.635	5	114.3558	0.635	5	114.3558	0.635	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)(Cl){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]N[5,6]H)(C[6]C[5,6]HH)(O)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]N[5,6]H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	115.2970	0.000	1	115.2970	0.000	1	115.2970	0.000	1	115.9947	3.938	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.9947	3.938	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.7135	3.122	2	116.7135	9.746	2	116.7135	9.746	2	115.9947	3.938	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:1:	4:3:2:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(O)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:1:	4:3:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H){3|H<1>,7|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	117.1690	0.000	1	117.1690	0.000	1	117.1690	0.000	1	117.1690	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(O)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(O){2|C<3>,5|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	115.4765	0.102	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	115.4765	0.102	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,5|C<4>}	114.1355	0.196	2	114.1355	0.038	2	114.1355	0.038	2	114.1355	0.038	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:3:	3:3:4:2:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:O-2:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]O)2(CH3)(OH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	119.0397	0.654	3	119.0397	0.427	3	119.0397	0.427	3	119.0397	0.427	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:3:	4:3:4:3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	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[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO){1|C<4>,1|H<1>,3|C<3>}	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:4:	3:2:4:3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO){1|C<3>,1|O<1>,2|C<4>}	115.0062	0.644	4	115.0062	0.415	4	115.3190	0.800	5	115.3190	0.800	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:4:	3:2:4:3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO){1|C<3>,1|O<1>,2|C<4>}	116.5700	0.000	1	116.5700	0.000	1	115.3190	0.800	5	115.3190	0.800	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[5,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|O<2>,4|H<1>,7|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:3:3:4:	4:3:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,8|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,7|C<4>}	117.6040	0.000	1	117.6040	0.000	1	117.6040	0.000	1	117.6040	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:2:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	114.2880	0.000	1	114.2880	0.000	1	114.2880	0.000	1	114.2880	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:2:3:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6]HH)(O)	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6]HH)(O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	115.1480	0.198	2	115.1480	0.039	2	115.1480	0.039	2	115.1480	0.039	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:2:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]O[6]HH)(O)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]O[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	115.5580	0.000	1	115.5580	0.000	1	115.5580	0.000	1	115.5580	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(O)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	115.6910	0.000	2	115.4845	0.057	4	115.4845	0.057	4	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	115.2780	0.000	2	115.4845	0.057	4	115.4845	0.057	4	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	115.8790	0.000	1	115.8790	0.000	1	115.2392	1.298	10	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.7670	0.000	1	115.7670	0.000	1	115.2392	1.298	10	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	114.5547	0.177	3	114.5547	0.031	3	115.2392	1.298	10	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.5580	0.109	3	115.4400	3.120	4	115.2392	1.298	10	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	118.0860	0.000	1	115.4400	3.120	4	115.2392	1.298	10	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.3220	0.000	1	115.3220	0.000	1	115.2392	1.298	10	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(Br){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	114.7740	0.089	2	114.7740	0.008	2	114.7740	0.008	2	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.3180	0.000	1	116.3180	0.000	1	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.6600	0.000	1	114.6600	0.000	1	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.3680	0.000	2	114.3680	0.000	2	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	115.6870	0.728	2	115.6870	0.530	2	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.5880	0.025	2	114.5880	0.001	2	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|S<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.8260	0.180	2	115.8260	0.032	2	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.7850	0.000	1	115.0280	1.146	2	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.2710	0.000	1	115.0280	1.146	2	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.3080	0.000	1	114.3080	0.000	1	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	114.9440	0.000	1	114.9440	0.000	1	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.0740	0.000	1	115.6190	0.237	4	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.9840	0.000	1	115.6190	0.237	4	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.3450	0.000	1	115.6190	0.237	4	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	116.0730	0.000	1	115.6190	0.237	4	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.7280	0.000	1	114.7280	0.000	1	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	114.6040	0.000	1	114.6040	0.000	1	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.1920	0.000	1	115.1920	0.000	1	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.4150	0.000	1	115.4150	0.000	1	115.1654	0.456	22	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.9340	0.000	1	115.9340	0.000	1	115.0950	0.429	11	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	115.0570	1.003	2	115.0570	1.005	2	115.0950	0.429	11	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.7468	0.607	4	114.7468	0.369	4	115.0950	0.429	11	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.1640	0.083	2	115.1640	0.007	2	115.0950	0.429	11	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.9940	0.000	1	115.9940	0.000	1	115.0950	0.429	11	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.6880	0.000	1	114.6880	0.000	1	115.0950	0.429	11	115.1180	0.747	51	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	112.9667	1.179	4	112.9667	1.391	4	113.7145	2.200	8	113.9175	1.521	12	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	115.7390	0.266	2	115.7390	0.071	2	113.7145	2.200	8	113.9175	1.521	12	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	113.4730	0.000	1	113.1855	0.165	2	113.7145	2.200	8	113.9175	1.521	12	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	112.8980	0.000	1	113.1855	0.165	2	113.7145	2.200	8	113.9175	1.521	12	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	114.5480	0.177	2	114.5480	0.031	2	114.3235	0.113	4	113.9175	1.521	12	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	114.3280	0.000	1	114.0990	0.105	2	114.3235	0.113	4	113.9175	1.521	12	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	113.8700	0.000	1	114.0990	0.105	2	114.3235	0.113	4	113.9175	1.521	12	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:3:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:Cl-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClC)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClC)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)(Cl){2|C<4>,3|H<1>}	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	116.9730	0.000	1	116.7270	0.121	2	118.0695	2.443	4	118.0695	2.443	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	116.4810	0.000	1	116.7270	0.121	2	118.0695	2.443	4	118.0695	2.443	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	3:4:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,3|H<1>}	119.4120	0.000	2	119.4120	0.000	2	118.0695	2.443	4	118.0695	2.443	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2{1|B<4>,2|C<4>,2|H<1>}	116.0260	0.000	1	116.0260	0.000	1	116.0260	0.000	1	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H){3|H<1>,5|C<4>}	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2{1|H<1>,4|C<4>}	114.4450	0.000	1	114.4450	0.000	1	114.4450	0.000	1	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H){1|O<2>,7|C<4>}	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	115.8930	0.000	1	115.8930	0.000	1	115.8930	0.000	1	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H){2|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	113.6110	0.174	4	113.6110	0.030	4	113.6110	0.030	4	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(O)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(O){1|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	115.9450	0.154	2	115.9450	0.024	2	115.9450	0.024	2	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]O)(H)2{3|C<4>,3|H<1>}	116.9400	0.000	1	116.9400	0.000	1	116.9400	0.000	1	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.7010	0.000	1	119.7010	0.000	1	115.7012	4.026	6	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.5720	0.000	1	115.5720	0.000	1	115.7012	4.026	6	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	115.1480	0.000	1	114.7335	0.123	4	115.7012	4.026	6	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.4500	0.000	1	114.7335	0.123	4	115.7012	4.026	6	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	114.6680	0.331	2	114.7335	0.123	4	115.7012	4.026	6	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.5760	0.000	1	116.0718	1.462	5	116.0718	1.462	5	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	117.9450	0.000	1	116.0718	1.462	5	116.0718	1.462	5	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{4|C<4>,4|H<1>}	115.4405	0.213	2	116.0718	1.462	5	116.0718	1.462	5	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	114.9570	0.000	1	116.0718	1.462	5	116.0718	1.462	5	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	117.6412	0.938	4	117.6412	0.879	4	117.2752	1.008	6	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.5430	0.891	2	116.5430	0.794	2	117.2752	1.008	6	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	115.0050	1.967	2	115.0050	3.870	2	114.8440	2.013	3	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,3|C<4>}	114.5220	0.000	1	114.5220	0.000	1	114.8440	2.013	3	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	113.2760	0.000	1	114.2677	0.317	10	114.9006	1.373	14	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|F<1>,5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	114.3148	0.303	4	114.2677	0.317	10	114.9006	1.373	14	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	114.1925	0.341	4	114.2677	0.317	10	114.9006	1.373	14	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	115.3720	0.000	1	114.2677	0.317	10	114.9006	1.373	14	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	116.9450	0.000	1	116.9450	0.000	1	114.9006	1.373	14	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	115.6790	0.000	1	116.3287	0.344	3	114.9006	1.373	14	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	116.6535	0.233	2	116.3287	0.344	3	114.9006	1.373	14	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(O){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(Cl){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	116.6210	0.000	1	116.6210	0.000	1	116.6210	0.000	1	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:F-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	115.7345	0.203	2	115.7345	0.041	2	115.7345	0.041	2	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	116.3790	0.000	1	116.3790	0.000	1	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	116.8860	0.000	1	116.8860	0.000	1	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	115.7340	0.000	1	115.7340	0.000	1	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	116.5310	0.000	1	116.5310	0.000	1	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	115.6813	1.244	4	115.4347	0.694	11	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	115.7620	0.000	1	115.4347	0.694	11	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	115.1135	0.600	2	115.4347	0.694	11	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	115.8630	0.000	1	115.4347	0.694	11	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	115.0683	0.628	3	115.4347	0.694	11	115.6875	0.733	15	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(O){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	117.4730	0.409	3	117.4730	0.167	3	117.4730	0.167	3	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{1|O<2>,5|C<4>,5|H<1>}	112.3130	0.000	1	112.8280	0.530	2	112.8280	0.530	2	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O){2|C<3>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{5|C<4>,6|H<1>}	113.3430	0.000	1	112.8280	0.530	2	112.8280	0.530	2	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,7|C<4>}	115.3090	0.000	1	115.3090	0.000	1	114.4630	1.431	2	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	113.6170	0.000	1	113.6170	0.000	1	114.4630	1.431	2	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	115.9280	0.000	1	115.9280	0.000	1	116.3360	0.333	2	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.7440	0.000	1	116.7440	0.000	1	116.3360	0.333	2	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	114.3680	0.000	1	114.3680	0.000	1	115.4351	1.448	9	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	115.5770	0.000	1	115.2064	0.307	5	115.4351	1.448	9	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	115.7780	0.000	1	115.2064	0.307	5	115.4351	1.448	9	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	115.1480	0.277	2	115.2064	0.307	5	115.4351	1.448	9	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	114.3810	0.000	1	115.2064	0.307	5	115.4351	1.448	9	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	113.9620	0.000	1	116.1720	3.663	3	115.4351	1.448	9	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	117.2770	0.000	2	116.1720	3.663	3	115.4351	1.448	9	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	117.1940	0.000	1	117.1940	0.000	1	116.2687	0.491	4	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.8200	0.462	2	115.8200	0.214	2	116.2687	0.491	4	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	116.2410	0.000	1	116.2410	0.000	1	116.2687	0.491	4	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	115.6029	2.009	87	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	113.5910	0.000	1	113.5910	0.000	1	115.5505	8.018	4	115.5505	8.018	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	119.7530	0.000	1	119.7530	0.000	1	115.5505	8.018	4	115.5505	8.018	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	114.5640	0.000	1	114.4290	0.036	2	115.5505	8.018	4	115.5505	8.018	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	114.2940	0.000	1	114.4290	0.036	2	115.5505	8.018	4	115.5505	8.018	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]CH)(O)	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]CH)(O){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){2|C<3>,2|O<2>,5|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	115.6270	0.000	1	115.6270	0.000	1	115.6270	0.000	1	116.8956	2.662	7	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(O){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){2|H<1>,3|C<4>}	115.7550	0.074	2	115.7550	0.005	2	115.7550	0.005	2	116.8956	2.662	7	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]CH)(O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]CH)(O){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){1|C<3>,3|O<2>,6|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.3700	0.427	2	118.3700	0.182	2	118.3700	0.182	2	116.8956	2.662	7	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(O){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	116.8956	2.662	7	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H){2|H<1>,3|C<4>}	119.0730	0.000	1	119.0730	0.000	1	119.0730	0.000	1	116.8956	2.662	7	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:3:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(O)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	117.4240	0.000	1	117.4240	0.000	1	117.4240	0.000	1	117.4240	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:2:	3:3:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:2:	3:4:4:4:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6]HH)(O)	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6]HH)(O){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,2|O<2>,3|C<4>}	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	114.8420	1.594	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[4,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[4,6]C[6,6]O)(C[6]C[6,6]HH)(O)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4,6]C[6,6]O)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	114.0500	0.000	1	114.0500	0.000	1	114.0500	0.000	1	114.8420	1.594	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.8420	1.594	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:2:	4:3:4:4:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CC)(O)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CC)(O){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.7180	0.000	1	117.7180	0.000	1	117.7180	0.000	1	117.7180	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:2:4:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O){3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	118.8680	0.680	2	118.8680	0.463	2	118.8680	0.463	2	118.8680	0.463	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.1060	0.000	1	117.1060	0.000	1	116.9383	0.662	3	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO){1|C<3>,3|C<4>,9|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.6550	0.000	1	117.6550	0.000	1	116.9383	0.662	3	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.0540	0.000	1	116.0540	0.000	1	116.9383	0.662	3	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.1030	0.024	2	117.0660	0.642	6	116.6800	0.707	17	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.5475	0.377	4	117.0660	0.642	6	116.6800	0.707	17	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.1258	0.826	4	117.1258	0.683	4	116.6800	0.707	17	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.7135	0.876	2	115.7135	0.768	2	116.6800	0.707	17	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.8815	0.349	2	116.0907	0.102	4	116.6800	0.707	17	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.3000	0.103	2	116.0907	0.102	4	116.6800	0.707	17	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.8710	0.000	1	116.8710	0.000	1	116.6800	0.707	17	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(O){1|O<2>,1|S<4>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S){2|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	116.3978	0.181	4	116.3978	0.033	4	116.3978	0.033	4	116.6653	0.576	24	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>}	116.4490	0.000	1	116.4490	0.000	1	117.0870	0.814	2	116.4660	0.786	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	117.7250	0.000	1	117.7250	0.000	1	117.0870	0.814	2	116.4660	0.786	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	115.8450	0.000	2	115.8450	0.000	2	115.8450	0.000	2	116.4660	0.786	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:3:	4:3:4:3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO){2|C<4>,3|C<3>}	118.5695	0.127	2	118.5695	0.016	2	118.5695	0.016	2	118.5695	0.016	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:3:4:4:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)2(CH3)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3){3|C<4>,4|C<3>}	C[6](C[6]C[6,6]O)2(CH3)2{1|C<3>,3|C<4>}	119.7875	1.010	2	119.7875	1.021	2	119.7875	1.021	2	119.7875	1.021	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[3,3x6]C[6,6]C)(C[6]C[6]HH)(O)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,3x6]C[6,6]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	115.7363	1.614	3	115.7363	2.604	3	115.7363	2.604	3	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|B<3>,1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	117.2440	0.000	1	118.6792	1.120	4	117.9424	1.839	7	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	119.1577	0.553	3	118.6792	1.120	4	117.9424	1.839	7	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(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]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	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]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	115.6630	0.000	1	115.6630	0.000	1	117.9424	1.839	7	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{5|C<4>}	117.4010	0.000	1	117.4010	0.000	1	117.9424	1.839	7	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	117.8160	0.000	1	117.8160	0.000	1	117.9424	1.839	7	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	116.2190	0.000	1	116.2190	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.4097	0.377	3	116.4097	0.142	3	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	117.9440	0.000	1	117.9440	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){4|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.2680	0.000	1	116.2680	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	117.4650	0.000	1	117.4650	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	115.3590	0.000	1	115.3590	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.3300	0.000	1	116.3300	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	117.3960	0.000	1	117.3960	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.7100	0.000	1	116.7100	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	117.3870	0.000	1	116.9007	0.229	3	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	116.4300	0.000	1	116.9007	0.229	3	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	116.8850	0.000	1	116.9007	0.229	3	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	116.5100	0.000	1	116.5100	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	115.3900	0.000	1	115.3900	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	119.9430	0.132	2	119.9430	0.017	2	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	116.1220	0.000	1	116.1220	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.0190	0.000	1	116.9684	0.594	5	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	117.1847	0.789	3	116.9684	0.594	5	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	117.2690	0.000	1	116.9684	0.594	5	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{3|C<4>}	118.4100	0.000	1	118.4100	0.000	1	116.9913	1.365	25	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.4725	0.135	2	116.4725	0.018	2	117.8875	3.235	6	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	117.2065	1.476	2	117.2065	2.178	2	117.8875	3.235	6	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	119.9835	0.508	2	119.9835	0.258	2	117.8875	3.235	6	117.2371	2.018	42	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2{8|C<4>}	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	116.1330	0.000	1	116.1330	0.000	1	116.1330	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,6|C<4>}	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[5,6]HH)(O){2|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|H<1>,6|C<4>}	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|O<2>,4|C<4>}	116.8860	0.199	2	116.8860	0.040	2	116.8860	0.040	2	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(O){2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,4|C<4>}	115.6070	0.000	1	115.6070	0.000	1	115.6070	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){5|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{5|C<4>}	116.8930	0.000	1	116.8930	0.000	1	116.8930	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	121.4730	0.412	2	122.0943	1.243	3	122.0943	1.243	3	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	123.3370	0.000	1	122.0943	1.243	3	122.0943	1.243	3	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,5,6]HH)(O)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,5,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	117.1260	0.451	2	117.1260	0.204	2	117.1260	0.204	2	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	120.9930	0.000	1	120.9930	0.000	1	120.2171	0.699	9	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	119.8420	0.643	5	120.1201	0.702	8	120.2171	0.699	9	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,6|C<4>}	120.7080	1.462	2	120.1201	0.702	8	120.2171	0.699	9	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	120.3350	0.000	1	120.1201	0.702	8	120.2171	0.699	9	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	119.4270	0.000	1	119.8160	9.243	3	119.8160	9.243	3	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	120.0105	4.273	2	119.8160	9.243	3	119.8160	9.243	3	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|O<2>,4|C<4>}	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	118.8098	5.345	28	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:3:4:	4:3:4:2:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(O){5|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O){6|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.9630	0.325	2	116.9630	0.106	2	116.9630	0.106	2	116.4740	0.323	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]O){5|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	116.4740	0.323	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	116.0670	0.591	2	116.0670	0.349	2	116.0670	0.349	2	116.4740	0.323	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:4:3:	3:4:4:4:	C[6,6]-4:C[6]-4:O-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:C-4:	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(O)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(O){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	120.4970	0.000	1	122.2463	2.497	3	122.2463	2.497	3	122.2463	2.497	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:4:3:	3:4:4:4:	C[6,6]-4:C[6]-4:O-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:C-4:	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(O)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(O){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	123.1210	0.635	2	122.2463	2.497	3	122.2463	2.497	3	122.2463	2.497	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:1:	4:4:4:3:	4:3:1:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]HH)(C[6]N[6]HH)2(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<4>,2|N<3>,8|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6]N[6]HH)2(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|O<2>,3|C<4>}	117.0405	2.230	2	117.0405	4.971	2	117.0405	4.971	2	117.0405	4.971	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:2:	4:3:2:1:	3:4:1:1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H)	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:2:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	116.9500	0.000	1	116.9500	0.000	1	115.8745	2.313	2	115.8745	2.313	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:2:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.7990	0.000	1	114.7990	0.000	1	115.8745	2.313	2	115.8745	2.313	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:2:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(NO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(NO){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{3|H<1>,5|C<4>}	115.7240	1.175	2	115.7240	1.381	2	115.7240	1.381	2	115.7240	1.381	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:2:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CC)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CC){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.5705	0.052	2	115.5705	0.003	2	115.5705	0.003	2	115.5705	0.003	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:2:	4:4:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NN)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NN){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{1|O<2>,2|H<1>,5|C<4>}	114.3070	0.000	1	114.3070	0.000	1	114.3070	0.000	1	114.3070	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:2:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:N-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(NO)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(NO){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	118.1730	13.109	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:2:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NO){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	120.2115	1.133	2	120.2115	1.285	2	120.2115	1.285	2	118.1730	13.109	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	3:3:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]N[6]C)(C[6]C[6]HH)(CCH)	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[5,6,6]N[6]C)(C[6]C[6]HH)(CCH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	113.7237	0.432	4	113.7237	0.187	4	113.6924	0.145	5	113.6924	0.145	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	113.5670	0.000	1	113.5670	0.000	1	113.6924	0.145	5	113.6924	0.145	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	3:4:3:2:	3:2:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6])	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6]){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2{1|C<3>,1|O<2>,3|C<4>}	118.6980	0.000	1	118.6980	0.000	1	118.6980	0.000	1	118.6980	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	113.6832	0.739	6	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	113.8560	0.202	3	113.8560	0.041	3	113.4194	0.403	5	113.6832	0.739	6	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.7645	0.315	2	112.7645	0.099	2	113.4194	0.403	5	113.6832	0.739	6	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{3|C<3>,5|C<4>}	115.0335	0.134	2	115.0335	0.018	2	114.4340	1.087	3	114.4340	1.087	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:3:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{1|C<3>,7|C<4>}	113.2350	0.000	1	113.2350	0.000	1	114.4340	1.087	3	114.4340	1.087	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHH)	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	113.8090	0.492	4	113.8090	0.242	4	113.8090	0.242	4	113.8090	0.242	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]N[6]HH)(CCH)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.3130	0.000	1	115.3130	0.000	1	115.3130	0.000	1	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	114.6738	0.536	9	114.6738	0.287	9	114.6738	0.287	9	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	113.9590	0.000	1	113.9590	0.000	1	113.7187	0.646	3	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	112.8220	0.000	1	112.8220	0.000	1	113.7187	0.646	3	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	114.3750	0.000	1	114.3750	0.000	1	113.7187	0.646	3	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.0520	0.000	1	116.0520	0.000	1	115.3998	0.971	4	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	115.1823	1.083	3	115.1823	1.172	3	115.3998	0.971	4	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|N<3>,3|H<1>,4|C<4>}	113.7990	0.000	1	113.7990	0.000	1	113.7990	0.000	1	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	113.6300	0.000	1	113.6300	0.000	1	114.4193	0.681	3	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH)	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	114.8140	0.653	2	114.8140	0.427	2	114.4193	0.681	3	114.6280	0.702	21	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	115.1120	0.215	2	115.1120	0.046	2	114.1323	2.902	3	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H){1|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	112.1730	0.000	1	112.1730	0.000	1	114.1323	2.902	3	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.0340	0.000	1	112.0340	0.000	1	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.3830	0.000	1	114.3830	0.000	1	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	112.9020	0.000	1	112.9020	0.000	1	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	112.4740	0.000	1	112.4740	0.000	1	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.6990	0.000	1	113.6990	0.000	1	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	114.2650	0.000	1	114.2650	0.000	1	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	116.9920	0.000	1	116.9920	0.000	1	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.8460	0.570	2	111.8460	0.325	2	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	113.7370	0.000	1	113.1550	0.677	2	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	112.5730	0.000	1	113.1550	0.677	2	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	113.3130	0.861	2	113.3130	0.742	2	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	113.6430	0.000	1	113.6430	0.000	1	113.3586	1.879	14	113.5044	2.076	19	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	113.3675	0.130	4	113.3675	0.017	4	114.0618	0.747	10	114.0618	0.747	10	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	114.7424	0.714	5	114.7424	0.510	5	114.0618	0.747	10	114.0618	0.747	10	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	113.4360	0.000	1	113.4360	0.000	1	114.0618	0.747	10	114.0618	0.747	10	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:1:	C[6,6]-4:C[6]-4:C-3:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CHH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CHH){4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:4:2:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CHH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CHH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CHH)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CHH){1|P<4>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2{1|B<4>,2|C<4>,5|H<1>}	113.2400	0.000	1	113.2400	0.000	1	113.2400	0.000	1	115.3001	1.175	58	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	111.6280	0.146	2	111.6280	0.021	2	111.8997	0.232	3	115.3001	1.175	58	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	112.4430	0.000	1	112.4430	0.000	1	111.8997	0.232	3	115.3001	1.175	58	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|N<4>,1|O<2>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	115.5259	0.690	53	115.5259	0.477	53	115.5259	0.477	53	115.3001	1.175	58	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	115.5960	0.000	1	115.5960	0.000	1	115.5960	0.000	1	115.3001	1.175	58	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:2:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]HH)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]HH)(CHH){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	114.0410	0.481	2	114.0410	0.231	2	114.0410	0.231	2	114.0410	0.231	2	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.9540	0.000	1	114.9540	0.000	1	113.8046	0.427	5	113.8046	0.427	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.6120	0.000	1	113.6120	0.000	1	113.8046	0.427	5	113.8046	0.427	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.5680	0.064	2	113.4857	0.022	3	113.8046	0.427	5	113.8046	0.427	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.3210	0.000	1	113.4857	0.022	3	113.8046	0.427	5	113.8046	0.427	5	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CHH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	114.7010	0.000	1	114.7010	0.000	1	114.7010	0.000	1	114.7010	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	4:3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(CHH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(CHH){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	114.3955	0.303	2	114.5623	0.427	4	114.5623	0.427	4	114.5623	0.427	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	114.7290	1.038	2	114.5623	0.427	4	114.5623	0.427	4	114.5623	0.427	4	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	115.0524	0.372	17	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	115.3513	0.514	3	115.3513	0.265	3	115.0846	0.378	16	115.0524	0.372	17	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	115.2860	0.000	1	115.0230	0.407	13	115.0846	0.378	16	115.0524	0.372	17	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	115.0011	0.661	12	115.0230	0.407	13	115.0846	0.378	16	115.0524	0.372	17	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	3:4:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	117.5390	1.150	3	117.5390	1.323	3	117.5390	1.323	3	117.5390	1.323	3	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	3:4:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|H<1>,4|C<4>}	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){5|C<4>,6|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	114.7976	1.129	5	114.7976	1.276	5	114.8210	0.888	7	114.8210	0.888	7	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6,6]	C[6]	4:4:3:	4:4:4:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHO)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHO){5|C<4>,6|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C){2|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	114.8795	0.463	2	114.8795	0.215	2	114.8210	0.888	7	114.8210	0.888	7	115.8536	4.098	545	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6,6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	113.2945	0.682	2	113.2945	0.466	2	113.2945	0.466	2	113.2945	0.466	2	115.6658	2.825	10	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6,6]	4:4:1:	4:3:1:1:	4:4:3:1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	115.6658	2.825	10	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6,6]	4:4:1:	4:3:3:1:	4:4:3:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[5]H)(O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[5]H)(O){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	115.6658	2.825	10	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6,6]	4:4:1:	4:3:4:1:	4:3:3:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	115.6710	0.628	2	115.6710	0.394	2	115.6710	0.394	2	115.6710	0.394	2	115.6658	2.825	10	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6,6]	4:4:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(O)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(O){8|C<4>}	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,4|C<4>,5|H<1>}	116.9290	0.000	1	116.9290	0.000	1	116.9290	0.000	1	116.4420	0.474	2	115.6658	2.825	10	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6,6]	4:4:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	115.9550	0.000	1	115.9550	0.000	1	115.9550	0.000	1	116.4420	0.474	2	115.6658	2.825	10	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6,6]	4:4:2:	3:4:1:1:	4:3:3:2:	C[6,6]-4:C[6]-4:N-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NN)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NN){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN){2|C<4>,8|H<1>}	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	115.6658	2.825	10	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6,6]	4:4:3:	3:4:1:1:	4:3:3:2:	C[6,6]-4:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){1|N<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN){2|C<4>,8|H<1>}	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	115.6658	2.825	10	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:4:2:2:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-2:C-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(CN)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|S<2>,2|C<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(CN)2{1|S<2>,2|H<1>,3|C<3>}	109.5920	0.000	1	109.5920	0.000	1	109.5920	0.000	1	109.5920	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.6677	0.941	4	112.6677	0.886	4	112.6677	0.886	4	113.8195	5.544	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	113.8195	5.544	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	118.2610	0.000	1	118.2610	0.000	1	118.2610	0.000	1	113.8195	5.544	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	3:4:4:1:	3:4:1:1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	116.1115	0.936	2	116.1115	0.875	2	116.1115	0.875	2	116.1115	0.875	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](CC[5a]C[6a])(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](CC[5a]C[6a])(C[6]C[6]HH)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	111.9953	0.101	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	111.8885	0.364	2	111.8885	0.133	2	111.8885	0.133	2	111.9953	0.101	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:2:4:1:	3:2:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H)	C[6](C[6]C[6]O)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O){1|C<4>}	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<3>,4|H<1>}	116.0113	1.944	3	116.0113	3.779	3	116.0113	3.779	3	116.3800	3.063	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	N[6,6a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	117.4860	0.000	1	117.4860	0.000	1	117.4860	0.000	1	116.3800	3.063	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	117.2510	1.797	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	117.2510	1.797	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6,6]HH)(O)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	116.5250	0.000	1	116.5250	0.000	1	116.5250	0.000	1	114.4718	3.548	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	113.0035	1.156	2	113.0035	1.337	2	113.0035	1.337	2	114.4718	3.548	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	114.4718	3.548	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:3:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5a,6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6]HH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2{1|O<2>,5|C<3>}	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:C-3:N-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5a,6]CN)(C[6]C[6,6]HH)(O)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]CN)(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	118.3510	0.000	1	118.3510	0.000	1	118.3510	0.000	1	117.4298	0.359	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	117.1995	0.354	4	117.1995	0.125	4	117.1995	0.125	4	117.4298	0.359	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:3:3:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){4|C<3>}	116.9820	0.395	2	116.9820	0.156	2	116.9820	0.156	2	116.9820	0.156	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	3:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-2:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H){1|C<4>,1|H<1>,2|C<3>}	117.0103	0.341	3	117.0103	0.116	3	117.0103	0.116	3	117.0103	0.116	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	116.9925	0.021	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	116.9925	0.021	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	118.7985	0.043	2	118.7985	0.002	2	118.7985	0.002	2	117.4127	5.763	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	117.4127	5.763	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|C<3>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	2:3:4:3:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	O[6]-2:C[6]-3:C-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	117.4800	0.523	2	117.4800	0.274	2	117.4800	0.274	2	117.4800	0.274	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	3:3:4:2:	C[6]-4:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]O)2(CC[6]HH)(CH3)	C[6](C[6]C[6]O)2(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	121.5697	0.320	3	121.5697	0.102	3	121.5697	0.102	3	121.6942	0.130	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	3:3:4:2:	C[6]-4:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:S-2:	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	122.0680	0.000	1	122.0680	0.000	1	122.0680	0.000	1	121.6942	0.130	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	3:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	120.7946	0.608	16	120.8912	0.406	18	120.8912	0.406	18	120.9120	0.364	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	3:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	121.6640	0.047	2	120.8912	0.406	18	120.8912	0.406	18	120.9120	0.364	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	3:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH)	C[6](C[6]C[6]O)2(CCHH)(CH3)	C[6](C[6]C[6]CC)2(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	121.0367	0.399	3	121.0367	0.159	3	121.0367	0.159	3	120.9120	0.364	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	117.8282	0.404	5	118.0111	0.293	7	117.7591	1.585	9	117.2772	1.616	16	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	118.4685	0.721	2	118.0111	0.293	7	117.7591	1.585	9	117.2772	1.616	16	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	118.9890	0.000	1	118.9890	0.000	1	117.7591	1.585	9	117.2772	1.616	16	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	114.7650	0.000	1	114.7650	0.000	1	117.7591	1.585	9	117.2772	1.616	16	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	116.4620	1.214	5	116.4620	1.473	5	116.6323	1.352	6	117.2772	1.616	16	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	117.4840	0.000	1	117.4840	0.000	1	116.6323	1.352	6	117.2772	1.616	16	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	116.8100	0.000	1	116.8100	0.000	1	116.8100	0.000	1	117.2772	1.616	16	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:3:4:4:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3){1|H<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>}	117.4990	1.585	4	117.4990	2.513	4	117.4990	2.513	4	117.4990	2.513	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	116.8510	0.899	2	116.8510	0.809	2	116.8510	0.809	2	115.3553	0.831	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	115.0630	0.000	1	115.0630	0.000	1	115.0630	0.000	1	115.3553	0.831	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	114.6677	0.046	3	114.6677	0.002	3	114.9737	0.215	6	115.3553	0.831	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.5700	0.028	2	115.5700	0.001	2	114.9737	0.215	6	115.3553	0.831	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	114.6990	0.000	1	114.6990	0.000	1	114.9737	0.215	6	115.3553	0.831	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(O)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	114.9460	0.000	1	114.9460	0.000	1	114.9460	0.000	1	115.3553	0.831	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H){1|C<3>,1|C<4>,3|H<1>}	117.8640	0.412	2	117.8640	0.169	2	117.9577	0.111	3	117.9577	0.111	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	118.1450	0.000	1	118.1450	0.000	1	117.9577	0.111	3	117.9577	0.111	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:1:	4:3:4:3:	C[6]-4:C[6]-4:O-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:2:	3:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	116.1820	0.009	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.2325	0.047	2	116.2325	0.002	2	116.2325	0.002	2	116.1820	0.009	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:2:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.8480	1.435	2	117.8480	2.060	2	117.8480	2.060	2	117.8480	2.060	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	116.4917	1.016	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.7015	0.087	2	116.7015	0.008	2	116.7015	0.008	2	116.4917	1.016	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.9685	0.030	2	116.9685	0.001	2	116.5138	1.241	12	116.4917	1.016	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	117.0913	0.166	4	117.0913	0.028	4	116.5138	1.241	12	116.4917	1.016	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.3110	1.189	4	116.3110	1.414	4	116.5138	1.241	12	116.4917	1.016	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.3095	2.125	2	115.3095	4.515	2	116.5138	1.241	12	116.4917	1.016	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.8230	0.130	2	115.8230	0.017	2	115.8230	0.017	2	115.8230	0.017	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|H<1>,2|C<3>,2|C<4>}	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	117.8450	1.781	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	118.9690	0.000	1	118.9690	0.000	1	118.5825	0.299	2	117.8450	1.781	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:3:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	118.1960	0.000	1	118.1960	0.000	1	118.5825	0.299	2	117.8450	1.781	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	115.2887	0.725	11	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:I-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,2|I<1>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I){1|C<3>,2|C<4>,2|H<1>}	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	115.2887	0.725	11	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	115.5718	0.181	5	115.3144	0.216	7	115.2296	0.191	9	115.2887	0.725	11	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	114.6710	0.081	2	115.3144	0.216	7	115.2296	0.191	9	115.2887	0.725	11	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	114.9325	0.081	2	114.9325	0.007	2	115.2296	0.191	9	115.2887	0.725	11	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	114.5755	0.069	2	114.5755	0.005	2	114.5755	0.005	2	114.5755	0.005	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	3:4:3:4:	4:3:4:3:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	114.5110	0.000	1	114.4953	0.226	3	114.4953	0.226	3	114.4953	0.226	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	114.4875	0.672	2	114.4953	0.226	3	114.4953	0.226	3	114.4953	0.226	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	2:3:4:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	115.3130	0.064	2	115.3130	0.004	2	115.3130	0.004	2	115.3130	0.004	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:2:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H){2|C<4>,3|H<1>}	114.5860	0.000	1	114.5860	0.000	1	115.6563	0.866	3	115.6563	0.866	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:2:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	116.1915	0.112	2	116.1915	0.013	2	115.6563	0.866	3	115.6563	0.866	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2	C[6](C[6]C[4,5,6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,5,6]O)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	112.2770	0.000	1	112.2770	0.000	1	112.2770	0.000	1	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)2(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,4|H<1>}	120.6760	5.349	2	120.6760	28.607	2	120.6760	28.607	2	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	116.2290	0.000	1	116.2290	0.000	1	116.2290	0.000	1	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(O)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	115.7975	0.391	2	115.7975	0.153	2	115.7975	0.153	2	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	115.5810	0.000	1	115.5810	0.000	1	115.8213	0.687	6	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]HH)2(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	115.3140	0.000	1	115.3140	0.000	1	115.8213	0.687	6	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	115.5130	0.000	1	115.5130	0.000	1	115.8213	0.687	6	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	115.0290	0.000	1	115.0290	0.000	1	115.8213	0.687	6	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	116.7455	0.829	2	116.7455	0.688	2	115.8213	0.687	6	116.3651	8.046	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CNS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(CNS)(H){1|C<4>,4|H<1>}	121.5080	2.135	2	121.5080	4.560	2	121.5080	4.560	2	121.5080	4.560	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:3:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:O-2:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH){1|C<4>,3|H<1>}	117.0460	0.000	1	117.0460	0.000	1	117.0460	0.000	1	117.0460	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6](C[6]C[6]Cl2)(C[6]C[6]ClC)(O)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(Cl)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl)	C[6](C[6]C[6]Cl2)(C[6]C[6]ClC)(O){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]O)(Cl)2{2|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl){3|Cl<1>,1|C<4>}	116.9920	0.000	1	116.9920	0.000	1	116.9920	0.000	1	115.7033	1.527	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl){1|C<4>,4|H<1>}	115.0590	0.751	2	115.0590	0.564	2	115.0590	0.564	2	115.7033	1.527	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,4|H<1>}	116.2560	0.420	2	116.2560	0.176	2	116.2560	0.176	2	116.2560	0.176	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	120.5580	0.000	1	120.5580	0.000	1	120.5580	0.000	1	118.0140	3.057	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3){1|C<4>,4|H<1>}	118.7120	2.400	2	118.7120	5.760	2	117.5900	2.158	6	118.0140	3.057	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN){1|C<4>,4|H<1>}	116.5765	0.646	2	116.5765	0.417	2	117.5900	2.158	6	118.0140	3.057	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	3:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	117.4815	0.135	2	117.4815	0.018	2	117.5900	2.158	6	118.0140	3.057	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	111.9030	0.000	1	111.9030	0.000	1	111.4045	0.497	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	110.9060	0.000	1	110.9060	0.000	1	111.4045	0.497	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(H){1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	118.6040	0.000	1	118.6040	0.000	1	118.8865	0.160	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,6|H<1>}	119.1690	0.000	1	119.1690	0.000	1	118.8865	0.160	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	110.4980	0.000	1	110.4980	0.000	1	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	111.5260	7.949	2	113.0602	44.084	5	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,3|H<1>}	114.3210	0.000	1	113.0602	44.084	5	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	113.9640	10.257	2	113.0602	44.084	5	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	109.9780	0.000	1	111.7260	6.111	2	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	113.4740	0.000	1	111.7260	6.111	2	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	112.5275	1.177	2	112.5275	1.386	2	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	111.7790	0.000	1	111.7790	0.000	1	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	117.0580	0.000	2	117.0580	0.000	2	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(H)	C[6](C[6]C[6]SnH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H){1|Sn<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	115.7350	0.000	1	115.7350	0.000	1	113.2811	18.046	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(O)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2{4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	117.2300	0.000	1	117.2300	0.000	1	117.2300	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)2(O)	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)2(O){1|N<3>,4|C<4>}	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	116.2470	0.000	1	116.8041	0.132	7	116.8041	0.132	7	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	116.8480	0.000	1	116.8041	0.132	7	116.8041	0.132	7	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	116.3460	0.000	1	116.8041	0.132	7	116.8041	0.132	7	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|S<4>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	117.0470	0.106	4	116.8041	0.132	7	116.8041	0.132	7	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	114.7370	0.578	2	114.7370	0.335	2	115.3822	0.724	6	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.8930	0.000	1	115.3885	0.491	2	115.3822	0.724	6	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	115.8840	0.000	1	115.3885	0.491	2	115.3822	0.724	6	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.0210	1.071	2	116.0210	1.146	2	115.3822	0.724	6	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(O)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]O)(H)2{4|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,5,3x6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(O)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(O){5|C<4>}	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	113.3645	0.347	2	113.3645	0.121	2	113.3645	0.121	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.1420	0.000	1	117.1420	0.000	1	117.1193	0.231	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|Si<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.5880	0.000	1	117.5880	0.000	1	117.1193	0.231	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	116.6280	0.000	1	116.6280	0.000	1	117.1193	0.231	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	112.9270	0.000	1	112.9270	0.000	1	113.7057	0.487	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.2740	0.000	1	114.2740	0.000	1	113.7057	0.487	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.9160	0.000	1	113.9160	0.000	1	113.7057	0.487	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6](C[6]C[5,6]BrH)2(O)	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H)	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[5,6]BrH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:F-1:H-1:	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H){1|C<3>,2|C<4>,4|H<1>}	115.5100	0.000	1	115.5100	0.000	1	115.5100	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)2(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)2(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	116.9700	0.000	1	116.9700	0.000	1	116.2737	0.448	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)2(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)2(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	115.9255	0.411	2	115.9255	0.169	2	116.2737	0.448	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	116.3750	0.798	2	117.4043	1.997	4	117.1588	1.799	5	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	118.4335	1.057	2	117.4043	1.997	4	117.1588	1.799	5	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	116.1770	0.000	1	116.1770	0.000	1	117.1588	1.799	5	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.5670	0.000	1	115.5670	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	116.2030	0.000	1	116.2030	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.9790	0.000	1	116.9790	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|B<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.4490	0.000	1	115.4490	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	116.5890	0.793	2	116.5890	0.629	2	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	117.9810	0.000	1	117.9810	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	115.8970	0.000	1	115.8970	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.8660	0.000	1	116.9312	2.916	12	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	116.7597	1.069	3	116.9312	2.916	12	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	118.0497	1.974	3	116.9312	2.916	12	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	117.6230	0.000	1	116.9312	2.916	12	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.6300	0.000	1	116.9312	2.916	12	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	114.6685	0.803	2	116.9312	2.916	12	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	119.2910	0.000	1	116.9312	2.916	12	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.5720	0.000	1	115.5720	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	113.7330	0.000	1	113.7330	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.6150	0.000	1	115.6150	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.5820	0.000	1	115.5820	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.1190	0.000	1	115.1190	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	116.6740	0.000	1	116.6740	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	115.6390	0.000	1	115.6390	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.6860	0.000	1	116.6860	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	114.3400	0.000	1	114.3400	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.2730	0.634	2	115.2730	0.401	2	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	114.8570	0.000	1	114.8570	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.8275	0.612	2	115.8275	0.374	2	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	118.4210	0.000	1	116.1885	2.423	4	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.4443	0.559	3	116.1885	2.423	4	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.8440	0.000	1	115.8440	0.000	1	116.1806	1.811	39	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H){1|Br<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,3|C<4>}	114.7510	0.209	2	114.7510	0.044	2	114.7510	0.044	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	113.3980	1.529	2	113.3980	2.337	2	113.3980	2.337	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	115.4730	0.000	1	115.4730	0.000	1	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	116.7030	0.000	1	117.7630	3.242	3	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	116.7440	0.000	1	117.7630	3.242	3	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.8420	0.000	1	117.7630	3.242	3	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{2|C<4>,4|H<1>}	118.0940	0.000	1	118.0940	0.000	1	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	115.4460	0.000	1	115.4460	0.000	1	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	115.8590	0.484	2	115.8590	0.234	2	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|N<3>,4|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	116.4920	0.000	1	116.4920	0.000	1	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Mo<7>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.8900	0.000	1	115.8900	0.000	1	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.1900	0.285	3	116.0182	0.172	4	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<4>,4|H<1>}	115.5030	0.000	1	116.0182	0.172	4	116.4625	1.448	14	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.2220	1.401	2	117.2220	1.964	2	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	114.7450	0.000	1	114.7450	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.8290	0.000	1	115.8290	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	113.3070	0.000	1	113.3070	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.6765	0.013	2	114.6765	0.000	2	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.8110	0.000	2	114.8110	0.000	2	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	114.7280	0.000	1	114.7280	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.8180	0.000	1	114.8180	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	116.1520	0.771	3	115.6920	2.204	5	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.0020	2.458	2	115.6920	2.204	5	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	116.1750	0.000	1	115.4926	0.626	40	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	116.3900	0.000	1	115.4926	0.626	40	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.4220	0.000	1	115.4926	0.626	40	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	115.1657	0.515	6	115.4926	0.626	40	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.2120	0.000	1	115.4926	0.626	40	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.7078	0.917	8	115.4926	0.626	40	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.9280	0.000	1	115.4926	0.626	40	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	115.4724	0.852	21	115.4926	0.626	40	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.0700	0.000	1	114.7933	0.181	3	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.6550	0.498	2	114.7933	0.181	3	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	115.1140	0.000	1	115.1140	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.1750	0.000	1	114.1750	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	116.7475	0.723	2	116.7475	0.523	2	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	116.4820	2.038	2	116.4820	4.153	2	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.9320	0.000	1	117.9320	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	115.3500	0.000	1	115.3500	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	115.7590	0.000	1	115.7590	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	115.9020	0.000	1	115.9020	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.7862	1.880	6	116.7862	3.534	6	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.7870	0.000	1	115.7870	0.000	1	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	114.9983	0.508	3	114.9983	0.258	3	115.5896	1.258	79	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:Br-1:Br-1:	C[6]-4:C[6]-3:Br-1:Br-1:	C[6](C[6]C[6]Br2)2(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2	C[6](C[6]C[6]Br2)2(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2{2|Br<1>,1|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2{2|Br<1>,1|C<4>,2|O<2>}	116.8780	0.000	1	116.8780	0.000	1	116.8780	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6](C[6]C[6]BrH)2(O)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)2(O){1|N<3>,4|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>}	108.3080	0.000	1	109.5165	2.921	2	109.5165	2.921	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6](C[6]C[6]BrH)2(O)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)2(O){1|N<3>,4|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	110.7250	0.000	1	109.5165	2.921	2	109.5165	2.921	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6](C[6]C[6]FF)2(O)	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2	C[6](C[6]C[6]FF)2(O){1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2{1|C<4>,4|F<1>}	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	113.7345	0.844	2	113.7345	0.712	2	114.5337	2.272	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	116.1320	0.000	1	116.1320	0.000	1	114.5337	2.272	3	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	111.5490	0.706	2	111.5490	0.498	2	111.5490	0.498	2	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|H<1>,3|C<4>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	114.8040	0.000	1	114.8040	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.4160	0.000	1	116.5415	0.032	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	116.6670	0.000	1	116.5415	0.032	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.5733	0.390	4	115.5733	0.152	4	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	115.6360	0.024	2	115.6360	0.001	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	117.2580	0.000	1	115.9130	1.409	4	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	115.4647	0.953	3	115.9130	1.409	4	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.5020	0.000	1	116.5020	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	114.4610	0.000	1	114.4610	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.3070	0.000	1	116.3070	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.9850	0.000	1	115.9850	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	114.2200	0.000	1	114.2200	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	115.7990	0.835	3	115.7990	0.697	3	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.6910	0.000	1	115.7836	0.835	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.8460	0.000	1	115.7836	0.835	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	113.9780	0.000	1	115.7836	0.835	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.1250	0.517	3	115.7836	0.835	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.5950	0.000	1	115.7836	0.835	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	116.2290	0.000	1	116.2290	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.5685	0.186	2	115.5685	0.035	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	115.5040	0.000	1	115.5040	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.1420	0.000	1	114.2030	0.007	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	114.2640	0.000	1	114.2030	0.007	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.6740	0.000	1	116.0731	0.712	20	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.7478	0.642	5	116.0731	0.712	20	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.6300	0.000	1	116.0731	0.712	20	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.1654	0.366	11	116.0731	0.712	20	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.1750	0.000	1	116.0731	0.712	20	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	113.4250	0.000	1	116.0731	0.712	20	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.8620	0.000	1	115.8620	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.5960	0.000	1	116.5960	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	114.6175	0.146	2	115.7068	0.589	29	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	116.5610	0.000	1	115.7068	0.589	29	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	116.9420	0.000	2	115.7068	0.589	29	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.4030	0.000	1	115.7068	0.589	29	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.6654	1.158	5	115.7068	0.589	29	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.6883	0.455	7	115.7068	0.589	29	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.6607	0.599	11	115.7068	0.589	29	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.5865	0.934	2	115.5865	0.873	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	114.3610	0.000	1	114.3610	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	116.5230	0.000	1	116.5230	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.9125	0.601	4	115.9125	0.361	4	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.9600	0.000	1	115.2445	0.624	8	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.9320	0.000	1	115.2445	0.624	8	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	114.7867	0.621	4	115.2445	0.624	8	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.9585	0.863	2	115.2445	0.624	8	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.4080	0.000	1	116.4565	2.199	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	117.5050	0.000	1	116.4565	2.199	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.7945	1.387	2	115.7945	1.923	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	114.9620	0.000	1	114.9620	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	115.0250	0.024	2	115.1947	0.049	4	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.2380	0.000	1	115.1947	0.049	4	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	115.4910	0.000	1	115.1947	0.049	4	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.6700	0.000	1	115.1555	0.529	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	114.6410	0.000	1	115.1555	0.529	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	114.7593	0.802	3	114.7593	0.643	3	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	116.4975	0.556	2	116.4975	0.310	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	116.3630	0.000	1	116.3630	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.6970	0.000	1	115.6970	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	117.0320	0.000	1	117.5902	0.496	5	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.7820	0.000	1	117.5902	0.496	5	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	117.2415	0.071	2	117.5902	0.496	5	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	117.6540	0.000	1	117.5902	0.496	5	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	117.7480	1.106	2	117.7480	1.223	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	114.9450	0.000	1	114.9450	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.7320	0.000	1	115.7320	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|N<3>,4|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	116.1395	0.023	2	114.4372	1.555	10	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|N<3>,4|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	112.0530	0.000	1	114.4372	1.555	10	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|N<3>,4|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	114.1545	0.487	2	114.4372	1.555	10	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|N<4>,4|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	114.3462	0.720	5	114.4372	1.555	10	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	114.0280	0.000	1	114.6820	0.855	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	115.3360	0.000	1	114.6820	0.855	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	114.2900	0.000	1	114.2900	0.000	1	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	114.6710	0.000	1	114.9166	0.577	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	114.9575	0.823	6	114.9166	0.577	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	115.8490	0.368	2	115.8490	0.135	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<3>,4|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	115.6730	0.000	1	116.2070	2.463	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<4>,4|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	119.1910	0.000	1	116.2070	2.463	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<4>,4|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	115.9783	1.004	4	116.2070	2.463	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|P<4>,4|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	114.6720	0.000	1	116.2070	2.463	7	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|Si<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	118.6410	0.000	1	117.9105	1.067	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(O)	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O){1|Si<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	117.1800	0.000	1	117.9105	1.067	2	115.6996	1.152	159	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	S[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](S[6]C[6]OO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(O){1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,4|H<1>}	C[6](S[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	115.5861	2.806	358	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){2|C<4>,3|H<1>}	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	113.8554	7.264	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,4|H<1>}	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	113.8554	7.264	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(O)	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(O){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H){1|N<3>,2|H<1>,3|C<4>}	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	113.8554	7.264	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(O){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H){2|C<4>,3|H<1>}	115.0340	0.649	2	115.0340	0.421	2	115.0340	0.421	2	113.8554	7.264	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(O){1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){4|C<4>,4|H<1>}	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	113.8554	7.264	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<4>,4|H<1>}	113.6010	0.000	1	113.6010	0.000	1	113.6010	0.000	1	113.8554	7.264	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H){1|C<4>,4|H<1>}	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	113.8554	7.264	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(NPtH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(NPtH)(H){1|C<4>,4|H<1>}	110.4780	0.000	1	110.4780	0.000	1	111.9820	4.524	2	114.2226	3.774	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]H)(NSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(NSnC)(H){1|C<4>,4|H<1>}	113.4860	0.000	1	113.4860	0.000	1	111.9820	4.524	2	114.2226	3.774	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	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>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	114.2226	3.774	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H){3|C<4>,4|H<1>}	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	114.2226	3.774	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(COO)(H){3|C<4>,7|H<1>}	115.9055	0.412	2	115.9055	0.170	2	115.9055	0.170	2	114.2226	3.774	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	115.1130	0.000	1	115.1130	0.000	1	114.2640	1.442	2	114.2226	3.774	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H){1|C<4>,2|H<1>}	113.4150	0.000	1	113.4150	0.000	1	114.2640	1.442	2	114.2226	3.774	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:2:	C[6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O){1|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH){4|C<4>,4|H<1>}	115.7520	0.000	1	115.7520	0.000	1	115.7520	0.000	1	116.2287	0.544	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH){3|C<4>,5|H<1>}	116.7250	0.000	1	116.7250	0.000	1	116.7250	0.000	1	116.2287	0.544	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:S-2:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP){1|C<3>,1|C<4>,3|H<1>}	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	116.2287	0.544	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]NO)(O)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON)	C[6](C[6]C[6]HH)(C[6]C[6]NO)(O){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON){1|C<4>,2|H<1>}	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	116.2287	0.544	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	116.2190	0.201	2	116.2190	0.040	2	116.2190	0.040	2	115.7303	0.737	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:3:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:N-3:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO){1|C<4>,4|H<1>}	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	115.7303	0.737	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,3|H<1>,6|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	116.5140	0.000	1	116.5140	0.000	1	116.4550	0.822	5	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	115.3930	0.000	1	116.6857	1.281	3	116.4550	0.822	5	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	117.3320	0.235	2	116.6857	1.281	3	116.4550	0.822	5	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,4|H<1>}	115.7040	0.000	1	115.7040	0.000	1	116.4550	0.822	5	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,4|H<1>}	115.8290	0.000	1	115.8290	0.000	1	115.8290	0.000	1	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:S-4:Cl-1:	C[6](C[6]C[6,6]ClS)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)(Cl)	C[6](C[6]C[6,6]ClS)(C[6]C[6,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)(Cl){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	115.8215	1.599	2	115.8215	2.556	2	116.4042	1.496	6	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	118.1020	0.000	1	118.1020	0.000	1	116.4042	1.496	6	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	116.9410	0.000	1	116.9410	0.000	1	116.4042	1.496	6	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H){2|H<1>,3|C<4>}	115.8695	0.709	2	115.8695	0.503	2	116.4042	1.496	6	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,3|H<1>}	116.3703	0.182	3	116.3703	0.033	3	116.3703	0.033	3	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	115.6620	0.000	1	115.6620	0.000	1	115.9845	0.208	2	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	116.3070	0.000	1	116.3070	0.000	1	115.9845	0.208	2	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:P-4:F-1:	C[6](C[6]C[6]FP)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F)	C[6](C[6]C[6]FP)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F){1|C<4>,4|H<1>}	115.9440	0.247	2	115.9440	0.061	2	115.9440	0.061	2	116.3148	0.657	21	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:2:	C[6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O){1|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	116.6520	0.000	1	116.6520	0.000	1	116.6520	0.000	1	116.8933	1.774	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:2:	C[6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(O){5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	117.4163	1.339	7	117.4163	1.793	7	117.4163	1.793	7	116.8933	1.774	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:2:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(O){5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH){2|C<4>,3|H<1>}	117.0080	0.000	1	117.0080	0.000	1	117.0080	0.000	1	116.8933	1.774	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|C<4>,3|H<1>}	114.7250	0.000	1	114.7250	0.000	1	115.0905	0.267	2	116.8933	1.774	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC){1|C<4>,4|H<1>}	115.4560	0.000	1	115.4560	0.000	1	115.0905	0.267	2	116.8933	1.774	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:S-2:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC){1|C<4>,4|H<1>}	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	116.8933	1.774	12	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:3:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){2|C<4>,3|H<1>}	116.5870	0.334	2	116.5870	0.111	2	116.5870	0.111	2	116.5870	0.111	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[4,6]HH)(C[6]C[6,6]CC)(O)	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[4,6]HH)(C[6]C[6,6]CC)(O){2|H<1>,3|C<4>}	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	116.8663	2.379	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,6|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	116.6010	0.621	2	116.6010	0.385	2	116.1783	0.729	3	116.8663	2.379	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:1:1:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	115.3330	0.000	1	115.3330	0.000	1	116.1783	0.729	3	116.8663	2.379	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	3:2:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O)(O[6]C[6])(H)2	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	3:2:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	115.1491	0.679	9	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	115.3900	0.769	7	115.3900	0.592	7	115.3900	0.592	7	115.1491	0.679	9	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	115.1491	0.679	9	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HO)2(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	114.6590	0.645	3	114.6590	0.416	3	114.6590	0.416	3	114.6590	0.416	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:2:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:2:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	3:4:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)2(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)2(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	115.7930	0.000	1	115.7930	0.000	1	115.7930	0.000	1	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.4840	0.000	1	116.4840	0.000	1	117.0932	1.538	6	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.5160	0.000	1	117.8840	5.327	2	117.0932	1.538	6	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.2520	0.000	1	117.8840	5.327	2	117.0932	1.538	6	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	116.2370	0.000	1	116.2370	0.000	1	117.0932	1.538	6	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.0580	0.000	1	117.0350	0.001	2	117.0932	1.538	6	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.0120	0.000	1	117.0350	0.001	2	117.0932	1.538	6	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	115.8800	0.000	1	115.8800	0.000	1	115.5590	0.206	2	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	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[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.2380	0.000	1	115.2380	0.000	1	115.5590	0.206	2	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	115.8060	0.000	1	115.8060	0.000	1	115.8060	0.000	1	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]N[5]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]N[5]H)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H){6|C<4>,8|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	114.9290	0.416	2	114.9290	0.173	2	114.9290	0.173	2	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	117.2740	0.000	1	117.2740	0.000	1	115.3648	1.906	8	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	117.7520	0.000	1	117.7520	0.000	1	115.3648	1.906	8	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.3480	0.360	3	114.3480	0.129	3	115.3648	1.906	8	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	114.9493	0.242	3	114.9493	0.059	3	115.3648	1.906	8	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	115.6780	0.000	2	115.6780	0.000	2	115.6780	0.000	2	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|H<1>}	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	115.5915	0.548	2	115.5915	0.300	2	115.5915	0.300	2	115.6041	2.075	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	116.0938	3.990	13	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:Cl-1:	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<2>,1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl){1|C<4>,1|H<1>,2|C<3>}	116.3010	0.000	1	116.3010	0.000	1	116.3010	0.000	1	116.0938	3.990	13	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	112.7640	0.000	1	112.7640	0.000	1	114.1570	3.200	5	116.0938	3.990	13	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	113.7513	1.333	3	113.7513	1.776	3	114.1570	3.200	5	116.0938	3.990	13	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	116.7670	0.000	1	116.7670	0.000	1	114.1570	3.200	5	116.0938	3.990	13	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)2(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)2(O){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	117.7792	0.581	5	117.5363	0.624	6	117.5363	0.624	6	116.0938	3.990	13	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)2(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)2(O){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,3|H<1>,6|C<3>}	116.3220	0.000	1	117.5363	0.624	6	117.5363	0.624	6	116.0938	3.990	13	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,4|C<3>,7|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	118.0145	0.380	2	118.0145	0.144	2	118.0145	0.144	2	118.0145	0.144	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:3:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	120.4400	1.154	2	120.4400	1.332	2	120.4400	1.332	2	120.4400	1.332	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:2:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	116.6130	0.000	1	116.6130	0.000	1	116.6130	0.000	1	116.6130	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]ReC)(H)	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]ReC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|P<4>,2|H<1>}	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	115.1053	1.783	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	114.4830	0.000	1	114.4830	0.000	1	115.5605	2.322	2	115.1053	1.783	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	116.6380	0.000	1	116.6380	0.000	1	115.5605	2.322	2	115.1053	1.783	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl){1|H<1>,2|C<4>}	117.3810	0.000	1	117.3810	0.000	1	117.3810	0.000	1	116.4433	0.984	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H){1|H<1>,2|C<4>}	115.5920	0.194	2	115.5920	0.038	2	116.1307	0.889	3	116.4433	0.984	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	117.2080	0.000	1	117.2080	0.000	1	116.1307	0.889	3	116.4433	0.984	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	3:3:4:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]O)2(CC[6]HH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]O)2(CC[6]HH)(OH){1|H<1>,4|C<4>}	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	111.7050	0.000	1	111.7050	0.000	1	111.7050	0.000	1	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ni)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ni)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,3|H<1>}	111.5480	0.000	1	111.5480	0.000	1	113.1160	7.509	4	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Pt)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Pt)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,3|H<1>}	111.4880	0.000	1	111.4880	0.000	1	113.1160	7.509	4	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ru)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,3|H<1>}	114.7140	3.509	2	114.7140	12.311	2	113.1160	7.509	4	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]CH)(O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	116.5478	1.502	5	116.5478	2.257	5	116.8939	2.135	7	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.8410	0.000	1	116.8410	0.000	1	116.8939	2.135	7	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	118.6770	0.000	1	118.6770	0.000	1	116.8939	2.135	7	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	115.1570	0.000	1	115.1570	0.000	1	115.3598	0.790	4	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.0460	0.000	1	116.0460	0.000	1	115.3598	0.790	4	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.0510	0.000	1	116.0510	0.000	1	115.3598	0.790	4	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.1850	0.000	1	114.1850	0.000	1	115.3598	0.790	4	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	116.6260	0.000	1	118.2670	5.386	2	117.4106	3.972	5	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	119.9080	0.000	1	118.2670	5.386	2	117.4106	3.972	5	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	119.1480	0.000	1	119.1480	0.000	1	117.4106	3.972	5	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	115.5080	0.000	1	115.5080	0.000	1	117.4106	3.972	5	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	115.8630	0.000	1	115.8630	0.000	1	117.4106	3.972	5	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	115.2040	0.000	1	115.2040	0.000	1	116.0354	1.052	14	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	115.2305	0.032	2	115.2305	0.001	2	116.0354	1.052	14	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	117.1160	0.000	1	116.4774	1.080	9	116.0354	1.052	14	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	116.3976	1.081	8	116.4774	1.080	9	116.0354	1.052	14	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	115.2665	0.322	2	115.2665	0.104	2	116.0354	1.052	14	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	116.3900	0.000	1	116.3900	0.000	1	116.3900	0.000	1	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	121.5840	0.000	1	121.5840	0.000	1	121.5840	0.000	1	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	116.2380	0.000	1	116.2380	0.000	1	116.2380	0.000	1	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.7504	0.978	5	116.7504	0.957	5	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.8800	0.000	1	116.8800	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	117.7730	0.000	1	117.7730	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	114.2650	0.000	1	114.2650	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	115.2335	0.032	2	115.2335	0.001	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	115.8130	0.000	1	115.8130	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	116.5200	0.000	1	116.5200	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	115.3350	0.000	1	115.3350	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	115.4090	0.000	1	115.4090	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	116.1850	0.000	1	116.1850	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.1715	0.262	4	116.1715	0.068	4	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.9350	0.000	2	116.9350	0.000	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.4680	0.000	1	115.1865	0.158	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.9050	0.000	1	115.1865	0.158	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	115.5830	0.000	1	115.2825	0.181	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.9820	0.000	1	115.2825	0.181	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	114.3440	0.000	1	114.3440	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.5560	0.000	2	115.5403	0.001	3	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.5090	0.000	1	115.5403	0.001	3	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.5520	0.000	1	115.5520	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	119.8070	0.358	2	119.8070	0.128	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	114.6410	0.000	1	114.6410	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	118.1880	0.000	1	118.1880	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.1335	0.180	2	116.1335	0.033	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.7965	0.146	2	116.5996	0.486	5	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	117.3360	0.000	1	116.5996	0.486	5	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.0345	0.814	2	116.5996	0.486	5	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<4>}	114.7320	0.000	1	114.7320	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.1060	0.000	1	115.1060	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	113.8580	0.000	1	114.0955	0.113	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.3330	0.000	1	114.0955	0.113	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.0720	0.280	2	116.0720	0.078	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.6220	0.100	4	114.6120	0.007	6	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	114.5920	0.065	2	114.6120	0.007	6	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	113.7905	0.595	2	113.7905	0.354	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.4150	0.000	1	114.4150	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.9933	1.077	3	115.8123	0.904	4	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	115.2690	0.000	1	115.8123	0.904	4	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.9210	0.000	1	115.9210	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.5500	0.000	1	117.0685	4.612	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	118.5870	0.000	1	117.0685	4.612	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.4060	0.000	1	114.4060	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.3065	0.954	8	114.4247	0.798	10	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	114.8975	0.500	2	114.4247	0.798	10	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.9710	1.135	4	115.9710	1.289	4	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.4340	0.000	1	115.6780	0.119	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	115.9220	0.000	1	115.6780	0.119	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.4870	0.000	1	115.4870	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.4010	0.000	1	115.4010	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	117.7470	0.000	1	117.7470	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	115.4700	0.761	4	115.8148	0.651	6	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	116.5045	0.306	2	115.8148	0.651	6	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	117.4230	0.000	1	116.0319	0.457	10	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	115.7196	0.585	5	116.0319	0.457	10	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	116.1223	0.380	3	116.0319	0.457	10	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	115.9310	0.000	1	116.0319	0.457	10	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	115.9560	0.000	1	116.0135	0.007	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	116.0710	0.000	1	116.0135	0.007	2	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	116.0810	0.000	1	116.0918	0.382	17	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	116.2330	0.314	15	116.0918	0.382	17	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	113.9850	0.000	1	116.0918	0.382	17	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	116.1680	0.000	1	116.1680	0.000	1	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	117.3617	0.359	3	117.3617	0.129	3	115.8266	1.372	122	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,3|H<1>}	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	115.8750	2.125	162	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(O)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(O){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|H<1>,7|C<4>}	114.6050	0.000	1	114.6050	0.000	1	114.6050	0.000	1	115.6337	0.985	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|H<1>,4|C<4>}	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	115.6337	0.985	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	115.6337	0.985	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	116.7680	0.000	1	116.7680	0.000	1	116.7680	0.000	1	116.7680	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:3:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:S-2:	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP)	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP){2|C<4>,3|H<1>}	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:3:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO){2|C<4>,3|H<1>}	115.5820	0.000	1	115.5820	0.000	1	115.5820	0.000	1	115.5820	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]CH)2(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	114.8845	0.144	2	114.8845	0.021	2	114.8845	0.021	2	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6,6]CH)2(O)	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)2(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.0460	0.000	1	116.0460	0.000	1	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	115.7970	0.000	1	115.7970	0.000	1	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	116.5990	0.000	1	116.5990	0.000	1	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	115.7410	0.000	1	115.7410	0.000	1	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){2|C<4>,3|H<1>}	117.5250	0.000	1	117.5250	0.000	1	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	116.8540	0.000	1	116.8540	0.000	1	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	115.1880	0.000	1	115.1880	0.000	1	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	115.7070	0.000	1	116.2577	0.942	16	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	116.5553	1.043	11	116.2577	0.942	16	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	115.5770	0.202	4	116.2577	0.942	16	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	114.9395	0.377	2	114.9395	0.142	2	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|H<1>,3|C<4>}	113.8360	0.000	1	113.8360	0.000	1	116.0611	1.054	26	116.1568	1.471	30	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	115.8250	0.000	1	115.8250	0.000	1	115.2400	0.684	2	115.2400	0.684	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	114.6550	0.000	1	114.6550	0.000	1	115.2400	0.684	2	115.2400	0.684	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3){1|C<3>,2|C<4>,5|H<1>}	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	117.9377	3.833	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3){2|C<4>,3|H<1>}	116.1750	0.000	1	116.1750	0.000	1	116.8840	1.005	2	117.9377	3.833	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:1:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	117.5930	0.000	1	117.5930	0.000	1	116.8840	1.005	2	117.9377	3.833	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	114.9120	0.000	1	114.9120	0.000	1	117.4027	5.959	3	117.3260	2.392	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<2>,4|C<4>}	118.6480	1.616	2	118.6480	2.613	2	117.4027	5.959	3	117.3260	2.392	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	117.2980	0.000	1	117.2980	0.000	1	117.2493	0.005	3	117.3260	2.392	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	117.2780	0.000	1	117.2780	0.000	1	117.2493	0.005	3	117.3260	2.392	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>}	117.1720	0.000	1	117.1720	0.000	1	117.2493	0.005	3	117.3260	2.392	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	116.7330	0.000	1	116.7330	0.000	1	116.7330	0.000	1	116.3913	0.827	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,4|C<4>}	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	116.3913	0.827	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.6050	0.000	1	116.6050	0.000	1	116.5755	1.376	4	116.3913	0.827	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.5820	0.000	1	115.5820	0.000	1	116.5755	1.376	4	116.3913	0.827	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.9010	0.000	1	115.9010	0.000	1	116.5755	1.376	4	116.3913	0.827	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>}	118.2140	0.000	1	118.2140	0.000	1	116.5755	1.376	4	116.3913	0.827	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	115.8560	0.000	1	115.8560	0.000	1	115.8560	0.000	1	116.3913	0.827	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:4:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)2(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	119.0970	0.000	1	119.0970	0.000	1	119.5750	0.457	2	119.5750	0.457	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:3:	4:3:4:3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:C-3:	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	120.0530	0.000	1	120.0530	0.000	1	119.5750	0.457	2	119.5750	0.457	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	3:3:4:2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]O)2(CC[6]HH)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O)2(CC[6]HH)(OH){1|H<1>,4|C<4>}	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	3:3:4:4:	C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(CH3)2	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3){1|H<1>,1|O<2>,3|C<4>}	118.0900	0.259	2	118.0900	0.067	2	118.0900	0.067	2	118.0900	0.067	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(O){5|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	117.4360	0.000	1	117.4360	0.000	1	117.4360	0.000	1	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCHH)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	117.4990	0.000	1	117.4990	0.000	1	118.4875	3.888	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	116.9030	0.000	1	116.9030	0.000	1	118.4875	3.888	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	119.2940	0.000	1	120.5015	2.916	2	118.4875	3.888	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	121.7090	0.000	1	120.5015	2.916	2	118.4875	3.888	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	119.1500	0.000	1	119.1500	0.000	1	118.4875	3.888	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	116.3700	0.000	1	116.3700	0.000	1	118.4875	3.888	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	117.0480	0.047	2	117.0480	0.002	2	117.0480	0.002	2	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H){5|C<4>}	114.8830	0.000	1	114.8830	0.000	1	114.8830	0.000	1	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	115.6320	0.045	2	116.9970	1.388	6	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	117.6795	0.671	4	116.9970	1.388	6	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	118.4870	3.113	2	118.4870	9.689	2	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|Cr<9>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cr<9>,4|C<4>}	119.8330	0.000	1	119.8330	0.000	1	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	116.1426	1.143	5	117.1765	7.460	6	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	122.3460	0.000	1	117.1765	7.460	6	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	122.6040	0.000	1	122.6040	0.000	1	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	117.6880	0.000	1	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	117.2013	0.244	3	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,3|C<4>}	117.2750	0.000	1	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	118.2357	1.291	7	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	117.5774	1.027	10	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	115.3390	0.000	1	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	120.9110	0.000	1	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	116.8525	0.419	2	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	117.2868	1.526	35	117.4587	2.030	61	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	117.9620	0.000	1	116.1225	6.768	2	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	114.2830	0.000	1	116.1225	6.768	2	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	117.2863	0.180	3	117.2863	0.033	3	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	119.0130	0.000	1	119.0130	0.000	1	117.5006	2.737	83	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	116.8090	0.000	1	116.8090	0.000	1	117.5770	0.455	3	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{6|C<4>}	117.9610	0.158	2	117.9610	0.025	2	117.5770	0.455	3	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	115.6980	0.000	1	115.6980	0.000	1	116.9724	0.501	22	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	117.8870	0.000	1	117.8870	0.000	1	116.9724	0.501	22	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	116.9100	0.000	1	116.9100	0.000	1	116.9724	0.501	22	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	117.6250	0.000	1	117.6250	0.000	1	116.9724	0.501	22	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	117.8223	0.926	3	117.8223	0.857	3	116.9724	0.501	22	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|N<2>,2|C<3>,3|C<4>}	116.1530	0.000	1	116.7871	0.231	15	116.9724	0.501	22	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	117.1293	0.722	3	116.7871	0.231	15	116.9724	0.501	22	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	116.7514	0.376	11	116.7871	0.231	15	116.9724	0.501	22	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	119.0400	0.000	2	119.0400	0.000	2	119.4020	2.017	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	118.4630	2.162	2	118.4630	4.676	2	119.4020	2.017	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	120.7030	0.000	2	120.7030	0.000	2	119.4020	2.017	6	117.5196	2.490	124	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3){3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){2|H<1>,4|C<4>}	115.1100	0.000	1	115.1100	0.000	1	115.1100	0.000	1	116.2607	0.588	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	116.8280	0.000	1	116.8280	0.000	1	116.4908	0.338	5	116.2607	0.588	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|H<1>,4|C<4>}	116.1323	0.391	3	116.1323	0.153	3	116.4908	0.338	5	116.2607	0.588	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|O<1>,3|C<4>}	117.2290	0.000	1	117.2290	0.000	1	116.4908	0.338	5	116.2607	0.588	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6,6]CC)(O)	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(CH3)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6,6]CC)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(CH3)2{1|H<1>,2|C<3>,4|C<4>}	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.7670	0.000	1	114.7670	0.000	1	115.3933	0.392	3	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.3940	0.000	1	115.3940	0.000	1	115.3933	0.392	3	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.0190	0.000	1	116.0190	0.000	1	115.3933	0.392	3	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	113.2730	0.000	1	113.2730	0.000	1	115.4469	1.150	8	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.8410	0.000	1	115.8410	0.000	1	115.4469	1.150	8	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.3615	0.463	2	115.3615	0.215	2	115.4469	1.150	8	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.7153	0.840	3	115.7153	0.705	3	115.4469	1.150	8	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|S<2>,2|O<2>,5|H<1>}	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	116.5920	0.000	1	116.5920	0.000	1	115.4469	1.150	8	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|Si<4>,3|H<1>,4|C<4>}	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.3500	0.000	1	116.3500	0.000	1	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|S<2>,5|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	116.3810	0.000	1	116.3810	0.000	1	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.3920	0.000	1	115.3920	0.000	1	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.2740	0.075	2	115.2740	0.006	2	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.5314	0.396	5	115.6855	0.268	6	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	116.4560	0.000	1	115.6855	0.268	6	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H)	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H){4|H<1>,5|C<4>}	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	113.1890	0.000	1	113.1890	0.000	1	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	114.5450	0.298	2	114.5450	0.089	2	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|S<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	112.8060	0.030	2	112.8060	0.001	2	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	115.6160	0.000	1	115.6160	0.000	1	115.0759	1.368	17	115.1964	1.139	29	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(O)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	115.6060	0.000	1	115.6060	0.000	1	115.6060	0.000	1	116.1040	0.496	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){2|C<4>,3|H<1>}	116.6020	0.000	1	116.6020	0.000	1	116.6020	0.000	1	116.1040	0.496	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(O)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.0380	0.000	1	115.0380	0.000	1	114.7155	0.208	2	114.7155	0.208	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(O)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(O){1|B<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH){2|C<4>,3|O<2>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.3930	0.000	1	114.3930	0.000	1	114.7155	0.208	2	114.7155	0.208	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(O)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<4>,6|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:1:	5:4:4:3:	4:3:1:1:	C[6]-4:C[6]-4:H-1:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|B<6>,5|H<1>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<5>,2|C<4>,2|H<1>}	115.8230	0.000	1	115.8230	0.000	1	115.8230	0.000	1	115.8230	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	3:3:3:1:	2:3:1:1:	C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[6]-3:N-3:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	3:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,3|H<1>}	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	3:3:4:4:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N)2(CH3)2{1|C<4>,4|H<1>}	118.8615	0.760	2	118.8615	0.578	2	118.8615	0.578	2	118.8615	0.578	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.6930	0.139	2	114.6930	0.019	2	114.6930	0.019	2	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	118.8390	0.000	1	118.8390	0.000	1	117.8365	2.010	2	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	116.8340	0.000	1	116.8340	0.000	1	117.8365	2.010	2	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(NFe)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)2(NFe){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,6|H<1>}	127.7360	0.000	1	127.7360	0.000	1	127.7360	0.000	1	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.5340	0.000	1	112.5340	0.000	1	114.8830	11.036	2	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	117.2320	0.000	1	117.2320	0.000	1	114.8830	11.036	2	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	112.0070	0.000	1	112.0070	0.000	1	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	113.6210	0.000	1	115.0754	1.049	20	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	115.2619	0.997	16	115.0754	1.049	20	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	114.5657	0.889	3	115.0754	1.049	20	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN){2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	114.1290	0.000	1	114.1290	0.000	1	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NO)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	115.6485	0.411	2	115.6485	0.169	2	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	116.7358	0.364	12	116.7358	0.132	12	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	117.3440	0.000	1	117.3440	0.000	1	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<4>,2|H<1>}	115.2490	0.000	1	115.2490	0.000	1	115.5885	1.643	38	115.8872	5.230	45	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	113.4830	0.000	1	113.4830	0.000	1	113.4830	0.000	1	117.1827	12.754	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NMn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NMn)(H){1|C<4>,4|H<1>}	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	117.1827	12.754	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[5a])	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[5a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H){1|C<4>,4|H<1>}	117.2920	0.000	1	117.2920	0.000	1	117.2920	0.000	1	117.1827	12.754	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5])	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H){1|C<4>,4|H<1>}	115.6737	0.310	3	115.6737	0.096	3	116.2440	1.365	4	117.1827	12.754	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H){1|C<4>,4|H<1>}	117.9550	0.000	1	117.9550	0.000	1	116.2440	1.365	4	117.1827	12.754	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OFe)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OFe)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OFe){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OFe)(H){1|C<4>,4|H<1>}	116.3290	0.000	1	116.3290	0.000	1	116.3290	0.000	1	117.1827	12.754	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H){1|C<4>,4|H<1>}	112.1387	0.632	3	112.1387	0.399	3	112.7403	1.714	4	113.7082	5.970	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6])	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H){1|C<4>,4|H<1>}	114.5450	0.000	1	114.5450	0.000	1	112.7403	1.714	4	113.7082	5.970	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H){1|C<4>,4|H<1>}	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	113.7082	5.970	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:2:1:	3:2:2:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:O[6]-2:S-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H){1|C<1>,1|C<4>,1|O<2>,2|H<1>}	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-2:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:3:1:	4:3:2:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	111.2300	0.000	1	111.2300	0.000	1	111.2300	0.000	1	111.2300	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:3:2:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.1370	0.041	2	117.1370	0.002	2	117.1093	0.003	3	117.1093	0.003	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:3:2:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.0540	0.000	1	117.0540	0.000	1	117.1093	0.003	3	117.1093	0.003	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	114.7560	0.000	1	114.7560	0.000	1	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	115.7687	1.155	3	115.7687	1.335	3	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	115.9930	0.000	1	115.9930	0.000	1	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	113.1880	0.000	1	113.1880	0.000	1	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	118.2110	0.000	1	114.8103	8.950	3	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	113.1100	0.744	2	114.8103	8.950	3	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	114.2435	1.051	2	114.2435	1.106	2	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>,2|H<1>}	115.0500	0.781	2	115.0500	0.609	2	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	118.4190	0.000	1	115.1261	2.223	8	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>,2|H<1>}	115.9110	0.000	1	115.1261	2.223	8	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	114.4465	0.516	6	115.1261	2.223	8	115.0129	2.267	21	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	114.9604	2.352	23	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H){2|C<4>,3|H<1>}	117.9020	0.000	1	117.9020	0.000	1	118.3446	0.390	5	118.3446	0.390	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	118.7575	0.900	2	118.4553	0.439	4	118.3446	0.390	5	118.3446	0.390	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	117.8880	0.000	1	118.4553	0.439	4	118.3446	0.390	5	118.3446	0.390	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)2(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	118.4180	0.000	1	118.4553	0.439	4	118.3446	0.390	5	118.3446	0.390	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:2:	4:3:4:4:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	118.7599	0.361	7	118.7599	0.130	7	118.7599	0.130	7	118.7599	0.130	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:3:	3:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO){1|N<3>,4|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	117.6840	0.000	1	117.6840	0.000	1	116.7385	1.788	2	116.4070	1.224	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	115.7930	0.000	1	115.7930	0.000	1	116.7385	1.788	2	116.4070	1.224	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(NO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|C<4>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	116.4070	1.224	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NN)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]N)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NN){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]N)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	118.1940	0.000	1	118.1940	0.000	1	119.2190	9.039	5	118.3565	8.122	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,4|C<4>}	124.4890	0.000	1	124.4890	0.000	1	119.2190	9.039	5	118.3565	8.122	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,4|C<4>}	118.0900	0.000	1	118.0900	0.000	1	119.2190	9.039	5	118.3565	8.122	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,4|C<4>}	116.8850	0.000	1	117.6610	1.204	2	119.2190	9.039	5	118.3565	8.122	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{5|C<4>}	118.4370	0.000	1	117.6610	1.204	2	119.2190	9.039	5	118.3565	8.122	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	115.6190	0.000	1	115.6190	0.000	1	116.9190	5.388	3	118.3565	8.122	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN)	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2{3|C<4>}	115.5390	0.000	1	115.5390	0.000	1	116.9190	5.388	3	118.3565	8.122	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:2:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	119.5990	0.000	1	119.5990	0.000	1	116.9190	5.388	3	118.3565	8.122	8	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	2:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-3:	O[6]-2:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]O[6]HH)2(CHH)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	C[6](C[6]O[6]HH)2(CHH){1|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|H<1>,3|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|H<1>,3|O<2>}	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH){1|C<4>,2|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2{1|C<3>,1|O<2>,3|H<1>}	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:2:2:1:	3:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH){2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(CCHH)(H){2|H<1>,2|O<2>}	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:2:4:1:	3:2:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:2:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2){1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<3>,4|H<1>}	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	113.6660	0.000	1	113.6660	0.000	1	113.6660	0.000	1	114.3280	0.328	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,2|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	114.2200	0.000	1	114.2200	0.000	1	114.5487	0.199	3	114.3280	0.328	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2	C[6](C[6]C[6]C)(N[6]S[6]H)(H)2	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]C)(N[6]S[6]H)(H)2{1|N<3>,2|H<1>,2|O<1>}	115.0570	0.000	1	115.0570	0.000	1	114.5487	0.199	3	114.3280	0.328	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)2(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)2(CHH){1|C<4>,2|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	114.3690	0.000	1	114.3690	0.000	1	114.5487	0.199	3	114.3280	0.328	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH){1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	113.4795	0.497	2	113.4795	0.247	2	113.4795	0.247	2	113.4795	0.247	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|C<3>,4|H<1>}	114.8030	0.000	1	114.8030	0.000	1	114.8030	0.000	1	114.8030	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	2:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[5]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	113.7420	0.000	1	113.7420	0.000	1	113.8575	0.034	4	113.8575	0.034	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	113.7800	0.048	2	113.7800	0.002	2	113.8575	0.034	4	113.8575	0.034	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.1280	0.000	1	114.1280	0.000	1	113.8575	0.034	4	113.8575	0.034	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:2:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH){1|C<4>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2{1|H<1>,5|C<3>}	118.0510	0.000	1	118.0510	0.000	1	119.8750	6.654	2	115.8003	12.007	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H){2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	121.6990	0.000	1	121.6990	0.000	1	119.8750	6.654	2	115.8003	12.007	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	114.2540	0.000	1	114.2540	0.000	1	113.7630	1.190	4	115.8003	12.007	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	113.5993	1.275	3	113.5993	1.625	3	113.7630	1.190	4	115.8003	12.007	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:3:3:3:	3:3:3:1:	C[6]-4:C[6]-4:C[3]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2){1|H<1>,4|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,6|H<1>,7|C<3>}	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H){2|C<4>,4|C<3>}	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[3]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(C[3]C[3]2)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[3]C[3]2){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	115.2910	0.000	1	115.2040	0.015	2	115.2040	0.015	2	114.2657	0.638	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[3]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(C[3]C[3]2)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[3]C[3]2){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	115.1170	0.000	1	115.2040	0.015	2	115.2040	0.015	2	114.2657	0.638	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.1990	0.000	1	113.7965	0.177	4	113.7965	0.177	4	114.2657	0.638	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	114.1870	0.000	1	113.7965	0.177	4	113.7965	0.177	4	114.2657	0.638	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.9240	0.000	1	113.7965	0.177	4	113.7965	0.177	4	114.2657	0.638	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2){2|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	113.8760	0.000	1	113.7965	0.177	4	113.7965	0.177	4	114.2657	0.638	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:2:4:	4:3:4:4:	C[6]-4:C[6]-4:C-3:	C[6]-3:C-4:O[6]-2:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH)	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	115.8140	0.000	1	115.8140	0.000	1	115.8140	0.000	1	115.8140	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:2:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	113.3420	0.304	3	113.3420	0.093	3	113.3420	0.093	3	113.3420	0.093	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH){1|B<4>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	115.5120	0.000	1	115.5120	0.000	1	114.5960	1.678	2	114.5960	1.678	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	113.6800	0.000	1	113.6800	0.000	1	114.5960	1.678	2	114.5960	1.678	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:N[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.9830	0.000	1	115.9830	0.000	1	115.9830	0.000	1	115.9830	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.8931	9.851	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	113.8977	3.225	3	113.8977	10.403	3	114.5763	8.777	4	112.8931	9.851	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.6120	0.000	1	116.6120	0.000	1	114.5763	8.777	4	112.8931	9.851	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P)	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	110.9370	0.000	1	110.9370	0.000	1	109.8400	2.407	2	112.8931	9.851	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P[6])	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P[6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	108.7430	0.000	1	108.7430	0.000	1	109.8400	2.407	2	112.8931	9.851	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.5850	0.000	1	114.5850	0.000	1	114.5850	0.000	1	116.3370	6.139	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:N[5]-3:	C[6]-3:C[6]-4:B-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	118.0890	0.000	1	118.0890	0.000	1	118.0890	0.000	1	116.3370	6.139	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.5946	0.466	5	113.5946	0.218	5	113.5946	0.218	5	113.5658	0.179	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	2:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]C)(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	113.4220	0.000	1	113.4220	0.000	1	113.4220	0.000	1	113.5658	0.179	6	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	2:3:4:2:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:Cl-1:H-1:	O[6]-2:C[6]-3:C-4:O-2:	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH)	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H){1|C<3>,2|O<2>,3|C<4>}	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH){1|Cl<1>,1|H<1>,3|C<4>}	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH){1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|F<1>}	110.4625	0.214	2	110.4625	0.046	2	110.4625	0.046	2	112.0678	3.533	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	113.3230	0.000	1	113.3230	0.000	1	113.6730	0.245	2	112.0678	3.533	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	114.0230	0.000	1	114.0230	0.000	1	113.6730	0.245	2	112.0678	3.533	4	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	115.8700	0.000	1	115.8700	0.000	1	115.8700	0.000	1	115.8700	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H){1|C<3>,1|S<4>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|N<3>,6|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	114.5570	0.829	3	114.5570	0.687	3	114.5570	0.687	3	114.3811	1.421	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	114.3811	1.421	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	113.1860	0.000	1	113.1860	0.000	1	114.0770	0.680	3	114.3811	1.421	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2{1|B<4>,2|C<3>,8|H<1>}	C[6](C[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	114.5225	0.411	2	114.5225	0.169	2	114.0770	0.680	3	114.3811	1.421	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CN[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)2(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(H)2{2|C<4>,2|H<1>}	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	114.3811	1.421	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	113.5930	0.000	1	113.5930	0.000	1	113.5930	0.000	1	114.3811	1.421	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	114.3811	1.421	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:3:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(CCO)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2{2|H<1>,7|C<3>}	C[6](C[6]C[6]C)2(CCO)(COO){1|C<4>,4|H<1>}	115.1060	0.191	2	115.1060	0.036	2	115.1060	0.036	2	115.1060	0.036	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	114.2360	0.000	1	114.2360	0.000	1	114.2320	0.000	2	114.2320	0.000	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(CH3)(H){1|C<4>,3|H<1>}	114.2280	0.000	1	114.2280	0.000	1	114.2320	0.000	2	114.2320	0.000	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6](C[6]C[5,6]BrH)2(CCH)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H)	C[6](C[6]C[5,6]BrH)2(CCH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	117.8940	0.000	1	117.8940	0.000	1	117.8940	0.000	1	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	116.6150	0.000	1	116.6150	0.000	1	114.7852	2.347	4	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	115.4340	0.000	1	115.4340	0.000	1	114.7852	2.347	4	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.2290	0.000	1	113.2290	0.000	1	114.7852	2.347	4	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.8630	0.000	1	113.8630	0.000	1	114.7852	2.347	4	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)2(CHH){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.1210	0.000	1	115.1210	0.000	1	114.6750	0.398	2	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)2(CHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	114.2290	0.000	1	114.2290	0.000	1	114.6750	0.398	2	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	111.5480	0.034	2	111.5480	0.001	2	113.4257	1.790	8	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	113.9810	0.000	2	113.9810	0.000	2	113.4257	1.790	8	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCl2)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCl2){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	114.3275	0.023	2	114.3275	0.001	2	113.4257	1.790	8	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	112.6470	0.000	1	112.6470	0.000	1	113.4257	1.790	8	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	115.0460	0.000	1	115.0460	0.000	1	113.4257	1.790	8	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CBr2)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CBr2){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	113.2250	0.000	1	113.2250	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCC){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	116.1080	0.000	1	114.7610	9.103	3	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.3050	0.000	1	114.7610	9.103	3	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	116.8700	0.000	1	114.7610	9.103	3	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.4080	0.000	1	113.0700	0.228	2	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	112.7320	0.000	1	113.0700	0.228	2	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	112.8380	0.000	1	112.8380	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCI)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCI){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.4920	0.000	1	110.4920	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.7090	0.000	1	111.7090	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[3]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[3]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.4250	0.000	1	114.4250	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[5]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.9080	0.942	2	113.9080	0.887	2	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	113.0760	0.000	1	113.0760	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]2)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6a]2){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	111.5040	0.000	1	111.2870	0.094	2	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]2)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6a]2){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	111.0700	0.000	1	111.2870	0.094	2	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	111.7830	0.000	1	111.7830	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.9390	0.000	1	111.9390	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHH)	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	113.2940	0.085	2	113.2940	0.007	2	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.2840	0.000	1	114.2840	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.5960	0.079	2	113.5960	0.006	2	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	114.6730	0.000	1	114.6730	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CSiC)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CSiC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>}	111.1670	0.000	1	111.1670	0.000	1	113.0918	2.497	24	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.4213	1.402	3	111.4297	1.079	9	111.2836	0.859	12	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	111.2710	0.000	1	111.4297	1.079	9	111.2836	0.859	12	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	110.9480	0.000	1	111.4297	1.079	9	111.2836	0.859	12	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|O<1>,2|H<1>,3|C<4>}	110.8715	0.170	2	111.4297	1.079	9	111.2836	0.859	12	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	111.0430	0.000	1	111.4297	1.079	9	111.2836	0.859	12	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2){4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	110.5980	0.000	1	111.4297	1.079	9	111.2836	0.859	12	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	110.8453	0.156	3	110.8453	0.024	3	111.2836	0.859	12	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NCoC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NCoC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	110.5790	1.020	2	110.5790	1.040	2	112.2573	8.970	3	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(NCuH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NCuH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	115.6140	0.000	1	115.6140	0.000	1	112.2573	8.970	3	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:Se-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(SePdC)	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2	C[6](C[6]C[6]HH)2(SePdC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2{1|C<4>,4|H<1>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	113.0925	4.317	55	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H){1|C<4>,1|O<1>,2|H<1>}	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	113.9887	3.031	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,4|H<1>}	114.8575	1.238	2	114.8575	1.533	2	114.8575	1.533	2	113.9887	3.031	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|H<1>}	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:3:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)2{1|C<4>,4|H<1>}	114.6940	0.000	1	114.6940	0.000	1	114.6940	0.000	1	114.6940	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH)	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H){1|B<4>,4|H<1>}	114.0220	0.000	1	114.0220	0.000	1	114.0220	0.000	1	114.4695	0.401	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	114.9170	0.000	1	114.9170	0.000	1	114.9170	0.000	1	114.4695	0.401	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH){2|C<4>,2|H<1>}	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[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	112.0250	0.000	1	112.0250	0.000	1	112.0250	0.000	1	112.0250	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH){1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	114.2531	3.569	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.1308	0.810	6	114.1308	0.655	6	114.2191	0.515	8	114.2531	3.569	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.7500	0.000	1	114.4840	0.142	2	114.2191	0.515	8	114.2531	3.569	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.2180	0.000	1	114.4840	0.142	2	114.2191	0.515	8	114.2531	3.569	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.4925	0.593	4	112.4925	0.352	4	112.4925	0.352	4	114.2531	3.569	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.2780	0.000	1	114.2780	0.000	1	115.1985	1.695	2	114.2531	3.569	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	116.1190	0.000	1	116.1190	0.000	1	115.1985	1.695	2	114.2531	3.569	15	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HS)(CHH)	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HS)(CHH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H){1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	114.5830	0.000	1	114.5830	0.000	1	114.5830	0.000	1	114.5830	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:2:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	114.7690	0.000	1	114.7690	0.000	1	114.3020	0.627	3	114.3020	0.627	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	113.3880	0.000	1	113.3880	0.000	1	114.3020	0.627	3	114.3020	0.627	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	114.7490	0.000	1	114.7490	0.000	1	114.3020	0.627	3	114.3020	0.627	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:O-2:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	115.2470	0.000	1	115.2470	0.000	1	115.2470	0.000	1	115.2470	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	116.4480	0.000	1	116.4480	0.000	1	116.4480	0.000	1	116.4480	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	112.9360	0.000	1	112.9360	0.000	1	113.2343	1.692	26	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	112.8525	0.028	2	113.0563	1.166	19	113.2343	1.692	26	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	113.0803	1.143	17	113.0563	1.166	19	113.2343	1.692	26	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	113.0660	0.000	1	113.0660	0.000	1	113.2343	1.692	26	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	113.3402	1.715	4	113.3402	2.941	4	113.2343	1.692	26	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	116.6590	0.000	1	116.6590	0.000	1	113.2343	1.692	26	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	114.9810	0.000	1	114.9810	0.000	1	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H){1|C<4>,2|H<1>,2|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|S<4>}	112.0530	0.000	1	112.0530	0.000	1	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	115.8310	0.304	4	115.8310	0.092	4	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.5510	0.000	1	112.5510	0.000	1	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	116.4490	0.000	1	116.4490	0.000	1	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	112.2260	0.000	1	112.2260	0.000	1	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	111.9740	0.000	1	111.9740	0.000	1	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	116.0930	0.000	1	115.8185	0.151	2	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	115.5440	0.000	1	115.8185	0.151	2	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	117.3620	0.000	1	117.3620	0.000	1	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	115.6100	0.000	1	115.6100	0.000	1	114.8691	3.375	14	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O){1|O<1>,2|C<4>,2|H<1>}	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H){1|N<4>,4|H<1>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	113.8503	2.791	43	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.9810	0.000	1	113.9810	0.000	1	113.9810	0.000	1	113.8176	3.019	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|H<1>,3|C<4>}	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	113.8176	3.019	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	114.6970	0.000	1	114.6970	0.000	1	113.1352	1.302	5	113.8176	3.019	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	113.5520	0.000	1	113.2735	0.155	2	113.1352	1.302	5	113.8176	3.019	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	112.9950	0.000	1	113.2735	0.155	2	113.1352	1.302	5	113.8176	3.019	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	111.5510	0.000	1	111.5510	0.000	1	113.1352	1.302	5	113.8176	3.019	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	112.8810	0.000	1	112.8810	0.000	1	113.1352	1.302	5	113.8176	3.019	7	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]CH)2(CCC)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]CH)2(CCC){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:1:	4:3:4:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,3|H<1>}	113.7405	0.230	2	113.7405	0.053	2	113.7405	0.053	2	113.7405	0.053	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	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[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	116.7800	0.018	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	116.6850	0.000	1	116.6850	0.000	1	116.6850	0.000	1	116.7800	0.018	2	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CC[6a]Cl)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CC[6a]Cl){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CHH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CHH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,4|C<4>}	114.5510	0.000	1	114.5510	0.000	1	114.5510	0.000	1	114.5510	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3){2|H<1>,3|C<4>}	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	118.1393	0.847	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)2(CZrC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)2(CZrC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	117.7370	0.850	2	117.7370	0.722	2	117.7370	0.722	2	118.1393	0.847	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	109.2020	0.000	1	109.2020	0.000	1	108.7160	0.472	2	112.1092	10.667	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CP[6]C)	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CP[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	108.2300	0.000	1	108.2300	0.000	1	108.7160	0.472	2	112.1092	10.667	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	112.1092	10.667	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	115.9300	0.000	1	115.9300	0.000	1	115.9300	0.000	1	112.1092	10.667	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|H<1>,4|C<4>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	112.1092	10.667	5	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:B-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(BC[6a]3){3|C<4>}	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2{1|C<3>,4|H<1>}	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	119.0850	6.495	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CF3)	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)2(CF3){1|B<4>,2|C<4>}	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]C)2(H)2{1|C<3>,4|H<1>}	120.5555	0.125	2	120.5555	0.016	2	120.5555	0.016	2	119.0850	6.495	3	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	3:4:1:1:	3:4:1:1:	B[5a]-4:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	117.2790	0.000	1	117.2790	0.000	1	113.7070	25.518	2	110.4060	6.215	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CRuCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CRuCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	110.1350	0.000	1	110.1350	0.000	1	113.7070	25.518	2	110.4060	6.215	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:N-4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<4>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	110.4060	6.215	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6]2Pd)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pd){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	109.7220	0.000	1	109.7220	0.000	1	109.4634	0.400	7	110.4060	6.215	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6]2Pt)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pt){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	109.1420	0.000	1	109.1420	0.000	1	109.4634	0.400	7	110.4060	6.215	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6]2Rh)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Rh){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	109.5527	1.046	3	109.5527	1.093	3	109.4634	0.400	7	110.4060	6.215	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6]PdC)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]PdC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	109.3710	0.000	1	109.3710	0.000	1	109.4634	0.400	7	110.4060	6.215	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6]PtC)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]PtC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	109.3510	0.000	1	109.3510	0.000	1	109.4634	0.400	7	110.4060	6.215	10	115.7585	4.952	1422	115.4728	6.203	3190
762	466	466	6:SP2_SP3_SP3	C[6]	C[6]	C[6]	4:4:4:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.4050	0.000	1	114.4050	0.000	1	114.4050	0.000	1	114.4050	0.000	1	115.7585	4.952	1422	115.4728	6.203	3190