622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	3:4:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[6,6a]C[6,6]H)(Si[6]O[6]CC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H)	Si[6](O[6]C[6,6])(O[6]C[6])(CCCH)2	O[6](C[6,6]C[6,6a]C[6,6]H)(Si[6]O[6]CC){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	Si[6](O[6]C[6,6])(O[6]C[6])(CCCH)2{1|C<3>,1|H<1>,3|C<4>}	122.6190	0.000	1	122.6190	0.000	1	122.6190	0.000	1	122.6190	0.000	1	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	3:4:3:2:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[6,6a]C[6,6]C[6])(Si[6]O[6]CC)	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])	Si[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6a]C[6,6]C[6])(Si[6]O[6]CC){1|O<2>,3|C<3>,3|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>}	Si[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<4>,2|C<3>,2|H<1>}	131.1140	0.000	1	131.1140	0.000	1	131.1140	0.000	1	131.1140	0.000	1	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	4:3:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[6,6]C[6]H)(Si[6]O[6]CC)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H)	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2	O[6](C[6,6]C[6,6]C[6]H)(Si[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H){1|O<2>,3|C<4>,3|H<1>}	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2{1|C<3>,1|C<4>,3|H<1>}	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[3x6]-4:C[3,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[3,6]C[3x6]H)(Si[6]O[6]CC)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H)	Si[6](O[6]C[6,6])2(CC3)2	O[6](C[6,6]C[3,6]C[3x6]H)(Si[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H){2|H<1>,2|O<2>,5|C<4>}	Si[6](O[6]C[6,6])2(CC3)2{2|H<1>,3|C<4>}	121.1420	0.000	1	121.1420	0.000	1	121.1420	0.000	1	119.9134	11.787	8	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[3x6]C[6]H)(Si[6]O[6]CC)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H)	Si[6](O[6]C[6,6])2(CC3)2	O[6](C[6,6]C[3x6]C[6]H)(Si[6]O[6]CC){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H){2|H<1>,2|O<2>,6|C<4>}	Si[6](O[6]C[6,6])2(CC3)2{2|H<1>,3|C<4>}	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	119.9134	11.787	8	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[5,3x6]C[6]H)(Si[6]O[6]CC)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H)	Si[6](O[6]C[5,6,6])(O[6]C[6,6])(CC3)2	O[6](C[6,6]C[5,3x6]C[6]H)(Si[6]O[6]CC){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,6|C<4>}	Si[6](O[6]C[5,6,6])(O[6]C[6,6])(CC3)2{2|H<1>,3|C<4>}	115.2915	0.141	2	115.2915	0.020	2	115.2915	0.020	2	119.9134	11.787	8	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2{2|C<4>,3|H<1>}	120.9990	0.000	1	120.9990	0.000	1	122.3092	4.278	4	119.9134	11.787	8	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC){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]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2{2|C<4>,3|H<1>}	121.0040	0.000	1	121.0040	0.000	1	122.3092	4.278	4	119.9134	11.787	8	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	Si[6](O[6]C[6,6])2(CC3)2	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|O<2>,1|S<3>,3|C<4>,3|H<1>}	Si[6](O[6]C[6,6])2(CC3)2{2|H<1>,3|C<4>}	121.8860	0.000	1	121.8860	0.000	1	122.3092	4.278	4	119.9134	11.787	8	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6,6]-4:Si[6]-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC)	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	Si[6](O[6]C[6,6])2(CC3)2	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC){1|C<4>,1|S<3>,2|H<1>,2|O<2>}	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	Si[6](O[6]C[6,6])2(CC3)2{2|H<1>,3|C<4>}	125.3480	0.000	1	125.3480	0.000	1	122.3092	4.278	4	119.9134	11.787	8	121.1655	19.805	11	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	3:2:1:1:	2:2:4:4:	Si[6]-4:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](Si[6]O[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2	Si[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](Si[6]O[6]CC)(C[6]C[6]HH){1|C<3>,1|C<4>}	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2{1|C<3>,1|O<2>,3|C<4>}	Si[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<4>,2|C<3>,2|H<1>}	118.5170	0.000	1	118.5170	0.000	1	118.5170	0.000	1	118.5170	0.000	1	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	3:4:2:1:	2:2:4:4:	C[6]-4:Si[6]-4:	C[3]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6]C[3]C[6]H)(Si[6]O[6]CC)	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H)	Si[6](O[6]C[6])2(CC3)2	O[6](C[6]C[3]C[6]H)(Si[6]O[6]CC){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H){1|O<2>,2|C<4>,4|H<1>}	Si[6](O[6]C[6])2(CC3)2{1|C<3>,1|C<4>,3|H<1>}	127.1780	0.000	2	127.1780	0.000	2	127.1780	0.000	2	127.1780	0.000	2	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:Si[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6]C[5,6]HH)(Si[6]O[6]CC)	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2	Si[6](O[6]C[5,6])(O[6]C[6])(CC3)2	O[6](C[6]C[5,6]HH)(Si[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	Si[6](O[6]C[5,6])(O[6]C[6])(CC3)2{2|C<4>,3|H<1>}	128.4810	0.000	1	128.4810	0.000	1	123.0040	59.995	2	123.3996	15.600	7	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:Si[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6]C[5,6]HH)(Si[6]O[6]CC)	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2	Si[6](O[6]C[6])2(CH3)2	O[6](C[6]C[5,6]HH)(Si[6]O[6]CC){1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2{2|H<1>,2|O<2>,5|C<4>}	Si[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	117.5270	0.000	1	117.5270	0.000	1	123.0040	59.995	2	123.3996	15.600	7	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:Si[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6]C[6,6]HH)(Si[6]O[6]CC)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2	O[6](C[6]C[6,6]HH)(Si[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2{1|C<3>,1|C<4>,3|H<1>}	126.6820	0.000	1	125.6003	0.939	3	125.6003	0.939	3	123.3996	15.600	7	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:Si[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6]C[6,6]HH)(Si[6]O[6]CC)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2	O[6](C[6]C[6,6]HH)(Si[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	Si[6](O[6]C[6,6])(O[6]C[6])(CC3)2{2|C<4>,3|H<1>}	125.0595	0.350	2	125.6003	0.939	3	125.6003	0.939	3	123.3996	15.600	7	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:1:1:	2:2:4:4:	Si[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](Si[6]O[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2	Si[6](O[6]C[6])2(CC3)2	O[6](Si[6]O[6]CC)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Si[6](O[6]C[6])2(CC3)2{1|C<3>,1|C<4>,3|H<1>}	120.4940	0.000	2	120.4940	0.000	2	120.4940	0.000	2	123.3996	15.600	7	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:1:1:	4:2:4:4:	C[6]-4:Si[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	O[6](C[6]C[6,6]HH)(Si[6]C[6]CC)	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2	Si[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)2	O[6](C[6]C[6,6]HH)(Si[6]C[6]CC){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	Si[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>}	116.7095	0.531	2	116.7095	0.282	2	116.7095	0.282	2	119.8544	11.299	5	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:1:1:	4:2:4:4:	Si[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:O[6]-2:C-4:C-4:	O[6](Si[6]C[3x6]CC)(C[6]C[6]HH)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2	O[6](Si[6]C[3x6]CC)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|H<1>,4|C<4>}	121.9510	2.444	3	121.9510	5.973	3	121.9510	5.973	3	119.8544	11.299	5	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:4:4:	2:2:4:4:	C[6]-4:Si[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6]C[6,6]CC)(Si[6]O[6]CC)	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2	Si[6](O[6]C[6,6])(O[6]C[6])(CCCH)2	O[6](C[6]C[6,6]CC)(Si[6]O[6]CC){1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	Si[6](O[6]C[6,6])(O[6]C[6])(CCCH)2{1|C<3>,1|H<1>,3|C<4>}	130.4100	0.000	1	130.4100	0.000	1	130.4100	0.000	1	130.7355	0.212	2	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:2:4:4:	2:2:4:4:	Si[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	O[6]-2:O[6]-2:C-4:C-4:	O[6](Si[6]O[6]CC)(C[6]C[6]CC)	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2	Si[6](O[6]C[6])(O[6]P[6])(CH3)2	O[6](Si[6]O[6]CC)(C[6]C[6]CC){1|P<4>,2|H<1>}	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	Si[6](O[6]C[6])(O[6]P[6])(CH3)2{1|W<6>,4|C<4>}	131.0610	0.000	1	131.0610	0.000	1	131.0610	0.000	1	130.7355	0.212	2	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:3:2:1:	3:2:4:4:	C[6]-4:Si[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	N[3,6]-3:O[6]-2:C-4:C-4:	O[6](C[6]C[6,6]C[6a]H)(Si[6]N[3,6]CC)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H)	Si[6](N[3,6]C[3,6,6]C[3])(O[6]C[6])(CC3)2	O[6](C[6]C[6,6]C[6a]H)(Si[6]N[3,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	Si[6](N[3,6]C[3,6,6]C[3])(O[6]C[6])(CC3)2{2|C<3>,2|C<4>,2|H<1>}	124.6360	0.000	1	124.6360	0.000	1	124.6360	0.000	1	124.6360	0.000	1	123.3402	20.404	19	122.5428	20.630	30
622	466	658	6:SP3_SP3_SP3	O[6]	C[6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6]-4:Si[6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6]C[5,6]C[5]H)(Si[6]O[6]CC)	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	Si[6](O[6]C[6])2(CH3)2	O[6](C[6]C[5,6]C[5]H)(Si[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	Si[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	123.3402	20.404	19	122.5428	20.630	30
622	466	679	6:SP3_SP3_SP3	O[6]	C[6]	B[5a,6]	4:4:	4:2:1:1:	3:2:2:2:	B[5a,6]-4:C[6]-4:	P[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH)	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6])	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH){6|C<3>}	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2{2|O<2>,6|C<3>}	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6]){1|P<4>,3|H<1>,4|C<3>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1
622	466	727	6:SP2_SP2_SP3	O[6]	C[3x6]	C[5a,6]	3:4:	4:4:2:2:	3:3:2:	C[5a,6]-3:C[3x6]-4:	C[3x6]-4:C[3x6]-4:O[6]-2:O[6]-2:	N[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]2O[6])	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[5a,6])(O[6]C[6])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6])	O[6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]2O[6]){1|N<2>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[5a,6])(O[6]C[6]){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6]){1|O<2>,2|C<4>,3|C<3>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[4x6]	C[5a,6]	4:3:	3:3:3:2:	3:3:2:	C[4x6]-4:C[5a,6]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a])	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,7|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6]){1|H<1>,4|C<3>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6,6]	C[5a,6]	3:4:	4:2:2:1:	3:3:2:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	113.1107	2.314	4	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6,6]	C[5a,6]	3:4:	4:2:2:3:	3:3:2:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.1107	2.314	4	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6,6]	C[5a,6]	3:4:	4:2:2:4:	3:3:2:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.4520	0.000	1	114.4520	0.000	1	114.4520	0.000	1	114.4520	0.000	1	113.1107	2.314	4	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6,6]	C[5a,6]	3:4:	4:2:4:1:	3:3:2:	C[5a,6]-3:C[6,6]-4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]C[6]H)	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	113.1107	2.314	4	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:3:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:3:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|S<2>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	114.8940	0.494	2	114.8940	0.244	2	114.8940	0.244	2	114.8940	0.244	2	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:3:4:3:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:C-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC){1|H<1>,1|S<2>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	115.2470	0.000	1	115.2470	0.000	1	115.2470	0.000	1	115.2470	0.000	1	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<4>,3|H<1>}	112.3970	0.535	2	112.3970	0.286	2	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	110.4820	0.000	1	111.5719	1.007	9	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	111.9000	1.175	5	111.5719	1.007	9	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	111.9610	0.000	1	111.5719	1.007	9	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	111.1020	0.460	2	111.5719	1.007	9	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	111.0060	0.421	2	112.2421	0.758	28	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	112.5367	0.509	4	112.2421	0.758	28	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	111.9471	0.930	12	112.2421	0.758	28	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	112.7256	0.598	10	112.2421	0.758	28	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6]){1|C<4>,4|H<1>}	110.3480	0.000	1	110.3480	0.000	1	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	108.6290	0.000	1	108.6290	0.000	1	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|B<3>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6]){1|C<4>,2|O<2>,3|H<1>}	112.2930	0.000	1	112.2930	0.000	1	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	111.8303	0.800	8	112.4017	5.115	15	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.4062	0.796	4	112.4017	5.115	15	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	113.4130	0.000	1	112.4017	5.115	15	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){2|C<4>,2|H<1>}	116.1725	5.403	2	112.4017	5.115	15	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<2>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>}	111.1395	1.925	6	111.2657	1.979	22	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	109.3370	0.096	2	111.2657	1.979	22	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	110.9627	0.725	6	111.2657	1.979	22	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	111.0160	0.000	1	111.2657	1.979	22	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	112.8710	0.000	1	111.2657	1.979	22	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.2630	0.000	1	111.2657	1.979	22	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	112.2818	1.063	5	111.2657	1.979	22	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|Fe<10>,2|H<1>,4|C<4>}	111.4673	0.726	6	111.6273	0.464	8	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	112.1070	0.031	2	111.6273	0.464	8	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	112.9350	0.000	1	112.9350	0.000	1	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6]){1|Cl<1>,1|C<4>,2|H<1>}	111.6410	1.519	2	111.6410	2.307	2	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|B<3>,1|C<4>,2|H<1>}	111.0210	0.000	1	111.3434	0.734	30	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.3466	0.895	27	111.3434	0.734	30	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	111.0680	0.000	1	111.3434	0.734	30	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	111.8530	0.000	1	111.3434	0.734	30	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	111.8310	0.403	2	111.6714	1.753	14	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|P<3>,2|H<1>}	111.7500	1.069	2	111.6714	1.753	14	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	110.8723	2.272	4	111.6714	1.753	14	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){2|C<4>,2|H<1>}	112.1247	0.656	6	111.6714	1.753	14	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|P<3>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	113.1815	0.186	2	113.1815	0.035	2	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	112.4670	0.000	1	112.4670	0.000	1	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	114.2725	0.152	2	113.0229	2.200	7	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	112.8125	1.541	4	113.0229	2.200	7	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,3|H<1>}	111.3650	0.000	1	113.0229	2.200	7	111.8041	1.807	144	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	109.5800	0.000	1	109.5800	0.000	1	110.5010	1.696	2	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	111.4220	0.000	1	111.4220	0.000	1	110.5010	1.696	2	111.7862	1.817	146	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	114.1110	13.015	2	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	114.1110	13.015	2	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>}	111.5830	0.000	1	111.5830	0.000	1	111.9298	0.890	5	112.0357	0.657	7	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H){2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|H<1>,2|C<4>}	112.2445	1.777	2	112.2445	3.158	2	111.9298	0.890	5	112.0357	0.657	7	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H){2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	111.6380	0.000	1	111.6380	0.000	1	111.9298	0.890	5	112.0357	0.657	7	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H){2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	111.9390	0.000	1	111.9390	0.000	1	111.9298	0.890	5	112.0357	0.657	7	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	112.6040	0.000	1	112.6040	0.000	1	112.3005	0.184	2	112.0357	0.657	7	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	2:4:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	111.9970	0.000	1	111.9970	0.000	1	112.3005	0.184	2	112.0357	0.657	7	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	3:2:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH){1|C<4>,2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6]){2|C<3>,2|H<1>}	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	3:2:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	N[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H){1|C<4>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	3:2:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:2:4:4:	3:2:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[5a,6]-3:O[5a]-2:O[6]-2:	O[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	C[5a,6](C[5a,6]C[6,6]C[5a])(O[5a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[6,6]C[5a])(O[5a]N[5a])(O[6]C[6]){2|C<3>,4|C<4>}	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:2:4:4:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){3|C<3>,5|C<4>}	112.9220	0.000	1	112.9220	0.000	1	113.0100	0.015	2	113.0100	0.015	2	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:2:4:4:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<3>,4|C<4>}	113.0980	0.000	1	113.0980	0.000	1	113.0100	0.015	2	113.0100	0.015	2	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|C<4>,1|N<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	111.1920	0.000	1	111.6585	0.557	8	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	111.9270	0.000	1	111.6585	0.557	8	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	112.5590	0.000	1	111.6585	0.557	8	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	111.3790	0.000	1	111.6585	0.557	8	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	111.9790	0.000	1	111.6585	0.557	8	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	112.4990	0.000	1	111.6585	0.557	8	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	110.2930	0.000	1	111.6585	0.557	8	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	111.4400	0.000	1	111.6585	0.557	8	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	727	6:SP2_SP2_SP3	O[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<4>,4|C<3>}	112.0640	0.000	1	112.0640	0.000	1	111.7036	0.506	9	111.5288	0.755	10	111.8927	1.949	175	111.9655	2.183	181
622	466	746	6:SP3_SP3_SPD5	O[6]	C[6]	P[3x6]	5:4:	3:2:1:1:	4:2:2:2:1:	P[3x6]-5:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[3x6]-4:O[6]-2:O[6]-2:O[6]-2:H-1:	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H)	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H){6|C<3>,6|H<1>}	128.9233	0.681	3	128.9233	0.463	3	128.9233	0.463	3	128.9233	0.463	3	128.9233	0.463	3	128.9233	0.463	3
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	3:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)	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[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O){1|O<1>,2|C<3>,2|C<4>}	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>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){2|C<4>,3|C<3>,4|H<1>}	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	3:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[3x6]C[4x6]Br)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O){1|Br<1>,1|C<3>,2|C<4>,2|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>}	C[6,6](C[4x6]C[3x6]C[4x6]Br)(O[6,6]C[3x6])(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.6530	0.000	1	113.6530	0.000	1	113.6530	0.000	1	113.8172	0.588	12	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	3:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	114.5446	0.652	5	114.5446	0.426	5	113.8321	0.644	11	113.8172	0.588	12	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	3:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|H<1>,3|C<3>}	113.0950	0.000	1	113.0950	0.000	1	113.8321	0.644	11	113.8172	0.588	12	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	3:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|H<1>,3|C<3>}	113.3015	0.107	4	113.2670	0.015	5	113.8321	0.644	11	113.8172	0.588	12	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	3:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|H<1>,2|C<4>,3|C<3>}	113.1290	0.000	1	113.2670	0.015	5	113.8321	0.644	11	113.8172	0.588	12	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	3:4:2:4:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]O){3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(O){2|C<4>,2|H<1>,4|C<3>}	115.7325	0.074	2	115.7325	0.006	2	115.7325	0.006	2	115.7325	0.006	2	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	3:4:2:4:	4:2:3:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(O[6,6]C[3x6])(CCO)	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]C){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(O[6,6]C[3x6])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.4440	0.000	1	112.4440	0.000	1	112.4440	0.000	1	112.4440	0.000	1	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]C[6,6]O)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]O)(O[6,6]C[3x6])(O){1|C<3>,2|H<1>,3|C<4>}	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	113.4430	0.000	1	113.4430	0.000	1	113.1986	0.250	8	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(O[6,6]C[3x6])(O){1|C<3>,2|H<1>,3|C<4>}	114.3130	0.000	1	114.3130	0.000	1	113.1986	0.250	8	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	112.6800	0.000	1	112.9668	0.046	4	113.1986	0.250	8	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){2|C<3>,2|C<4>,2|H<1>}	113.0950	0.000	1	112.9668	0.046	4	113.1986	0.250	8	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,2|H<1>,3|C<4>}	113.0460	0.167	2	112.9668	0.046	4	113.1986	0.250	8	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]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)(O[6,6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(O[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	112.9830	0.014	2	112.9830	0.000	2	113.1986	0.250	8	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	112.4830	0.088	2	112.4830	0.008	2	112.9309	0.129	18	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(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>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){2|C<3>,2|C<4>,2|H<1>}	112.5302	0.127	4	112.5302	0.016	4	112.9309	0.129	18	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	113.0710	0.000	1	113.0710	0.000	1	112.9309	0.129	18	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])(O){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	113.1454	0.240	11	113.1454	0.058	11	112.9309	0.129	18	113.0068	0.168	27	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:4:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]2N)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(O[6,6]C[3x6])(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	115.1767	0.235	3	114.8423	0.173	6	114.8423	0.173	6	114.8423	0.173	6	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:4:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]2N)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(O[6,6]C[3x6])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.5080	0.207	3	114.8423	0.173	6	114.8423	0.173	6	114.8423	0.173	6	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:4:	4:2:3:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(CCl2)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(CCl2){1|C<3>,2|C<4>,3|H<1>}	114.3020	0.000	1	114.3020	0.000	1	114.3020	0.000	1	114.3020	0.000	1	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[4x6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[4x6]H)(O[6,6]C[3x6])(O){2|C<3>,2|H<1>,3|C<4>}	113.2620	0.000	1	113.2620	0.000	1	113.2620	0.000	1	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){3|C<4>,4|H<1>}	113.4400	0.000	1	113.4400	0.000	1	113.3195	0.029	2	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]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)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,3|C<4>,3|H<1>}	113.1990	0.000	1	113.1990	0.000	1	113.3195	0.029	2	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.7550	0.000	1	114.4078	0.282	12	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|C<3>,4|C<4>,5|H<1>}	114.1775	0.491	4	114.4078	0.282	12	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	114.5325	0.182	2	114.4078	0.282	12	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|C<3>,4|C<4>,5|H<1>}	113.8680	0.000	1	114.4078	0.282	12	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|C<3>,4|C<4>,5|H<1>}	114.8950	0.557	3	114.4078	0.282	12	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){5|C<4>,5|H<1>}	113.8110	0.000	1	114.4078	0.282	12	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|C<3>,4|C<4>,5|H<1>}	114.5517	0.383	3	114.6208	0.117	4	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	114.8280	0.000	1	114.6208	0.117	4	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	114.9810	0.000	1	114.9810	0.000	1	114.4916	0.240	17	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(O[6,6]C[3x6])(O){2|C<3>,2|H<1>,3|C<4>}	113.3560	0.348	2	113.3560	0.121	2	113.3560	0.121	2	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	113.9860	0.000	1	113.4360	0.605	2	113.0722	0.438	4	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.8860	0.000	1	113.4360	0.605	2	113.0722	0.438	4	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,2|C<4>,3|H<1>}	113.0090	0.000	1	113.0090	0.000	1	113.0722	0.438	4	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,1|S<2>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(O){1|O<2>,2|C<4>,2|H<1>}	112.4080	0.000	1	112.4080	0.000	1	113.0722	0.438	4	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])(O){1|N<3>,4|C<4>,4|H<1>}	112.5365	0.448	2	112.5365	0.200	2	112.5365	0.200	2	113.9405	0.724	28	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:3:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]O){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){1|C<3>,1|H<1>,5|C<4>}	114.2520	0.000	1	114.2520	0.000	1	114.2520	0.000	1	114.2520	0.000	1	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:4:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O){2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(O[6,6]C[3x6])(O){1|C<3>,3|H<1>,4|C<4>}	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[6,6]	4:3:	4:4:4:2:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6,6]-2:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6])	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	O[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]O){1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){3|H<1>,4|C<4>}	115.9890	0.000	1	115.9890	0.000	1	115.9890	0.000	1	115.9890	0.000	1	113.7392	0.873	81	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[4x6]	C[6,6]	4:3:	4:3:2:4:	4:2:1:	C[4x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(C[6]C[6]CH)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]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]C)(O[6,6]C[6,6])(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O){1|H<1>,2|C<3>,3|C<4>}	112.7930	0.000	1	112.7930	0.000	1	113.7280	1.748	2	113.7280	1.748	2	115.3274	3.562	5	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[4x6]	C[6,6]	4:3:	4:3:2:4:	4:2:1:	C[4x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6]C[6]CC)	C[6,6](C[3x6]C[6,6]2Br)(O[6,6]C[4x6])(O)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6]C[6]CC){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2Br)(O[6,6]C[4x6])(O){1|H<1>,2|C<3>,3|C<4>}	114.6630	0.000	1	114.6630	0.000	1	113.7280	1.748	2	113.7280	1.748	2	115.3274	3.562	5	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[4x6]	C[6,6]	4:3:	4:4:2:2:	4:2:1:	C[4x6]-4:C[6,6]-3:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[4x6]C[3x6]2O)(C[6,6]C[3x6]O)	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O)	O[6,6](C[4x6]C[3x6]2O)(C[6,6]C[3x6]O){3|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH){1|O<1>,2|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O){1|O<2>,2|C<4>,4|H<1>}	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	115.3274	3.562	5	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[4x6]	C[6,6]	4:3:	4:4:4:2:	4:2:1:	C[4x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-4:C[6,6]-4:O[6,6]-2:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]O)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[4x6])(O)	O[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]O){2|C<3>,2|H<1>,6|C<4>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[4x6])(O){5|C<4>,5|H<1>}	116.4570	0.000	1	117.1135	0.862	2	117.1135	0.862	2	117.1135	0.862	2	115.3274	3.562	5	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[4x6]	C[6,6]	4:3:	4:4:4:2:	4:2:1:	C[4x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-4:C[6,6]-4:O[6,6]-2:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]O)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[4x6])(O)	O[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]O){2|H<1>,8|C<4>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|Cl<1>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[4x6])(O){5|C<4>,5|H<1>}	117.7700	0.000	1	117.1135	0.862	2	117.1135	0.862	2	117.1135	0.862	2	115.3274	3.562	5	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6,6]	C[6,6]	C[6,6]	4:3:	3:2:4:1:	4:2:3:	C[6,6]-4:C[6,6]-3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6]-4:O[6,6]-2:C[6]-3:	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HO)(O[6,6]C[6,6])(C[6]C[6]H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]HO)(O[6,6]C[6,6])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.3040	0.000	1	103.3040	0.000	1	103.3040	0.000	1	103.3040	0.000	1	103.3040	0.000	1	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[3x6]	4:3:	4:3:4:2:	3:4:2:	C[3x6]-4:C[3x6]-3:	C[4,6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[3x6]-3:C[6,6]-4:O[6]-2:	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6])	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[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6])	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]){1|O<1>,5|H<1>,6|C<4>}	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[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,4|H<1>}	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6,6]	3:4:	4:3:3:2:	3:3:2:	C[6,6]-3:C[3x6]-4:	C[6,6]-4:C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[3x6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[3x6])(C[3x6]C[6,6]2C[6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6])	O[6](C[6,6]C[6,6a]C[3x6])(C[3x6]C[6,6]2C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6]){2|C<4>,2|H<1>,6|C<3>}	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	116.7126	7.405	8	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6,6]	4:3:	3:4:2:1:	3:4:2:	C[3x6]-4:C[6,6]-3:	C[3x6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]C[6])	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	116.1700	0.000	1	116.1700	0.000	1	116.1700	0.000	1	116.1700	0.000	1	116.7126	7.405	8	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6,6]	4:3:	4:2:4:2:	3:4:2:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6]C[6,6]C[6]){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	119.2640	1.131	2	119.2640	1.280	2	119.2640	1.280	2	119.2640	1.280	2	116.7126	7.405	8	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6,6]	4:3:	4:4:4:2:	3:2:3:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[3x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])	C[3x6](C[6,6]C[6]2C)2(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O)	O[6](C[3x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	C[3x6](C[6,6]C[6]2C)2(C[6]C[6]HH)(O[6]C[6,6]){3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	116.7126	7.405	8	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6,6]	4:3:	4:4:4:2:	3:4:2:	C[3x6]-4:C[6,6]-3:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	116.2730	0.000	1	116.4940	0.287	3	116.4940	0.287	3	116.4940	0.287	3	116.7126	7.405	8	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6,6]	4:3:	4:4:4:2:	3:4:2:	C[3x6]-4:C[6,6]-3:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6]){1|H<1>,2|O<1>,5|C<4>}	116.6045	0.708	2	116.4940	0.287	3	116.4940	0.287	3	116.4940	0.287	3	116.7126	7.405	8	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:3:2:2:	3:2:1:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6,6a]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[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,4|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[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|C<4>,2|O<2>,3|C<3>}	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:3:2:4:	2:3:1:	C[3x6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	O[6]-2:C[6]-3:O-1:	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[6](O[6]C[3x6])(C[6]N[6]C)(O)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,3|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|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](O[6]C[3x6])(C[6]N[6]C)(O){1|C<3>,2|C<4>}	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:3:2:4:	4:2:1:	C[3x6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[6,6]-4:O[6]-2:O-1:	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6,6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[6](C[6,6]C[6]2N[6])(O[6]C[3x6])(O)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6,6]O){1|H<1>,1|N<2>,5|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](C[6,6]C[6]2N[6])(O[6]C[3x6])(O){1|C<3>,3|H<1>,5|C<4>}	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	118.8070	0.065	4	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:3:2:4:	4:2:1:	C[3x6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O){1|N<2>,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](C[6]N[6]CH)(O[6]C[3x6])(O){1|C<3>,2|C<4>}	118.8960	0.223	3	118.8960	0.050	3	118.8960	0.050	3	118.8070	0.065	4	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]O)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	C[6](O[6]C[3x6])2(O)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]O){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](O[6]C[3x6])2(O){2|H<1>,3|C<4>}	122.1502	0.143	4	122.1502	0.020	4	122.1502	0.020	4	122.1502	0.020	4	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[3x6]-4:C[6]-3:	C[5,3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6,6a]O)	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	O[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6,6a]O){2|C<4>,2|O<2>,3|C<3>}	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.8290	0.000	1	117.8290	0.000	1	117.8290	0.000	1	117.8290	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6]-3:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H)	C[6](C[6]C[3x6]HH)(O[6]C[3x6])(O)	O[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O){1|I<1>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(O[6]C[3x6])(O){2|H<1>,3|C<4>}	123.1930	0.000	1	123.1930	0.000	1	123.1930	0.000	1	123.1930	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:2:1:	4:2:3:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[4]-4:O[6]-2:C[6]-3:	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4]C[6])	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[6](C[4]C[4]2H)(O[6]C[3x6])(C[6]C[6]H)	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4]C[6]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[4]C[4]2H)(O[6]C[3x6])(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:2:2:	3:2:1:	C[3x6]-4:C[6]-3:	C[5,6,6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6]C[6,6a]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6]C[6,6a]O){1|O<2>,2|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9720	0.373	2	120.9720	0.139	2	120.9720	0.139	2	120.9720	0.139	2	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:2:2:	4:2:1:	C[3x6]-4:C[6]-3:	C[5,4x6]-4:C[6,6]-4:O[6]-2:O-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[5,6]O)	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH)	C[6](C[5,6]C[5,5,3x6]C[5]H)(O[6]C[3x6])(O)	O[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[5,6]O){1|N<3>,3|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,5,3x6]C[5]H)(O[6]C[3x6])(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:2:4:	3:2:1:	C[3x6]-4:C[6]-3:	C[4x6]-4:C[6,6]-4:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH)	C[6](C[6]N[6,6]O)(O[6]C[3x6])(O)	O[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]N[6,6]O)(O[6]C[3x6])(O){4|C<4>}	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:3:2:	4:2:1:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(O)	O[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6]){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(O){1|H<1>,1|N<3>,3|C<4>}	122.3390	0.000	1	122.3390	0.000	1	122.3390	0.000	1	122.3390	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[3x6]	C[6]	4:3:	4:4:4:2:	4:2:1:	C[3x6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[3x6])(O)	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O){1|C<3>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(O[6]C[3x6])(O){2|H<1>,3|C<4>}	125.0360	0.000	1	125.0360	0.000	1	125.0360	0.000	1	125.0360	0.000	1	120.5186	4.620	19	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[4x6]	C[6]	4:3:	4:4:3:2:	4:2:1:	C[4x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:C[6,6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[4x6])(O)	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(O[6]C[4x6])(O){1|C<3>,1|H<1>,3|C<4>}	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	3:4:2:2:	4:3:2:	C[6,6]-3:C[6,6]-4:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[5,6]C[6,6])(C[6,6]C[6]2O[6])	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6])	O[6](C[6,6]C[5,6]C[6,6])(C[6,6]C[6]2O[6]){1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	115.6945	0.411	2	115.6945	0.169	2	115.6945	0.169	2	115.6945	0.169	2	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	3:4:2:3:	3:3:2:	C[6,6]-3:C[6,6]-4:	C[6]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3)	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6]){1|C<4>,3|H<1>,5|C<3>}	117.6120	0.000	1	117.6120	0.000	1	117.6120	0.000	1	117.6120	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	3:4:4:2:	3:3:2:	C[6,6]-3:C[6,6]-4:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3)	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)2(O[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)2(O[6]C[6,6]){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6]){3|C<3>,3|C<4>,5|H<1>}	116.1480	0.000	1	116.1480	0.000	1	116.1480	0.000	1	116.1480	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	3:4:4:2:	3:4:2:	C[6,6]-3:C[6,6]-4:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6,6](C[6]C[6,6]H)(C[6]C[6]HH)2(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]H)(C[6]C[6]HH)2(O[6]C[6,6]){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	4:4:2:2:	3:4:2:	C[6,6]-3:C[6,6]-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6]){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	115.8207	0.724	3	115.8207	0.524	3	115.8207	0.524	3	115.8207	0.524	3	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	4:4:2:3:	3:2:3:	C[6,6]-3:C[6,6]-4:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	115.6510	0.000	1	115.6510	0.000	1	116.5540	1.631	2	116.5540	1.631	2	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	4:4:2:3:	3:2:3:	C[6,6]-3:C[6,6]-4:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	117.4570	0.000	1	117.4570	0.000	1	116.5540	1.631	2	116.5540	1.631	2	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	4:4:2:3:	3:4:2:	C[6,6]-3:C[6,6]-4:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){1|O<1>,4|H<1>,7|C<4>}	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[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,4|H<1>,5|C<4>}	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	3:4:	4:4:2:3:	4:3:2:	C[6,6]-3:C[6,6]-4:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	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[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){1|O<1>,5|C<4>,6|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[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(O[6]C[6,6]){1|C<3>,4|C<4>,5|H<1>}	116.2520	0.139	2	116.2520	0.019	2	116.2520	0.019	2	116.2520	0.019	2	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	3:4:2:2:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[5a]-3:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6]C[6,6]C[6])	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6]C[6,6]C[6]){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	119.1550	0.000	1	119.1550	0.000	1	119.1550	0.000	1	119.1550	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	3:4:4:2:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6a]C[6]2)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6,6]C[6,6]C[6]){4|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6]){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	117.8970	0.000	1	117.8970	0.000	1	117.8970	0.000	1	117.8970	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:2:2:1:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[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]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:2:3:1:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	118.2410	0.000	1	118.0125	0.104	2	118.0125	0.104	2	118.0125	0.104	2	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:2:3:1:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	117.7840	0.000	1	118.0125	0.104	2	118.0125	0.104	2	118.0125	0.104	2	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:3:2:2:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6]){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	119.6780	0.093	2	119.6780	0.009	2	119.6780	0.009	2	119.6780	0.009	2	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:1:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	117.5705	0.545	2	117.5705	0.297	2	117.5705	0.297	2	117.5705	0.297	2	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:2:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	120.1730	0.000	1	120.1730	0.000	1	116.9795	3.805	8	116.9795	3.805	8	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:2:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	118.2320	1.055	2	116.5233	2.496	7	116.9795	3.805	8	116.9795	3.805	8	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:2:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	115.9605	1.341	4	116.5233	2.496	7	116.9795	3.805	8	116.9795	3.805	8	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:2:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.3570	0.000	1	116.5233	2.496	7	116.9795	3.805	8	116.9795	3.805	8	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:2:	4:2:3:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]C){3|H<1>,3|O<2>,4|C<4>}	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:2:	4:3:2:	C[6,6]-4:C[6,6]-3:	C[3,3x6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6]-4:C[3x6]-3:O[6]-2:	O[6](C[6,6]C[3,3x6]C[5,6]O)(C[6,6]C[3x6]C[5,6])	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH)	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6])	O[6](C[6,6]C[3,3x6]C[5,6]O)(C[6,6]C[3x6]C[5,6]){3|C<4>,3|O<2>,4|C<3>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH){1|N<4>,3|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6]){1|N<4>,2|O<2>,3|C<4>,5|C<3>}	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:3:	3:2:3:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:N-3:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6]N)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6]N)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	117.8420	0.000	1	117.8420	0.000	1	117.8420	0.000	1	117.8420	0.000	1	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:4:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	120.0300	0.000	1	120.0300	0.000	1	119.6180	0.830	7	119.6180	0.830	7	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:4:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){1|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[6,6]){1|O<1>,4|C<4>,4|H<1>}	120.0070	0.000	1	119.5493	0.956	6	119.6180	0.830	7	119.6180	0.830	7	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6,6]	4:3:	4:4:2:4:	3:4:2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,4|C<4>,4|H<1>}	119.4578	1.064	5	119.5493	0.956	6	119.6180	0.830	7	119.6180	0.830	7	117.4044	3.037	40	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	3:4:	2:4:4:2:	4:2:1:	C[6]-3:C[6,6]-4:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[4,5,5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[4,5,5,6,6]O)(C[6,6]C[6]2O[6])	C[6,6](O[6]C[4,5,6])(C[6]C[6]HH)2(O[6]C[6])	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[5,5,6])(O[6]C[6,6])(O)	O[6](C[6]C[4,5,5,6,6]O)(C[6,6]C[6]2O[6]){4|H<1>,5|C<4>}	C[6,6](O[6]C[4,5,6])(C[6]C[6]HH)2(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[5,5,6])(O[6]C[6,6])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	123.7070	0.000	1	123.7070	0.000	1	123.7070	0.000	1	123.7070	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	3:4:	4:4:4:2:	3:2:1:	C[6]-3:C[6,6]-4:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6,6]C[6]3)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6]HH)2(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6]C[6,6a]O)(C[6,6]C[6]3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6]HH)2(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|H<1>,2|C<3>,3|C<4>}	121.3050	0.000	1	121.3050	0.000	1	121.3050	0.000	1	121.3050	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	2:3:3:2:	3:2:1:	C[6,6]-4:C[6]-3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<3>}	120.3250	0.291	2	120.2027	0.087	3	120.2027	0.087	3	120.2027	0.087	3	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	2:3:3:2:	3:2:1:	C[6,6]-4:C[6]-3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|O<2>,4|C<3>}	119.9580	0.000	1	120.2027	0.087	3	120.2027	0.087	3	120.2027	0.087	3	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:2:3:2:	2:2:4:	C[6,6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	N[6]-2:O[6]-2:C-4:	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3){1|O<2>,3|C<3>}	117.3400	0.000	1	117.3400	0.000	1	117.3400	0.000	1	117.3400	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:2:4:2:	3:3:2:	C[6,6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C[6]-4:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.2695	0.260	2	116.2695	0.067	2	116.2695	0.067	2	116.2695	0.067	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:3:2:4:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|O<2>,4|C<3>}	120.1445	0.545	2	120.1445	0.297	2	120.1445	0.297	2	120.1445	0.297	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:3:3:2:	2:3:1:	C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]N[6]C)(O)	O[6](C[6,6]C[6]3)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6])(C[6]N[6]C)(O){1|C<4>,3|C<3>}	122.0385	1.080	2	122.0385	1.166	2	122.0385	1.166	2	122.0385	1.166	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:3:4:2:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]H)(O)	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]H)(O){1|C<4>,3|C<3>}	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.4420	0.458	2	116.4420	0.210	2	116.4420	0.210	2	117.2237	8.329	4	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,2|H<1>,3|C<3>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	117.2237	8.329	4	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.6640	0.000	1	114.6640	0.000	1	114.6640	0.000	1	117.2237	8.329	4	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6,6])(O){1|C<3>,1|C<4>,1|H<1>}	123.3500	0.000	1	123.3500	0.000	1	123.3500	0.000	1	123.8420	0.484	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	123.8420	0.484	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:4:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|O<2>,2|C<4>,3|C<3>}	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:4:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[5,5,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,5,6]O)	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,5,6]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	117.4630	0.000	1	117.4630	0.000	1	117.4630	0.000	1	119.8702	1.454	9	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:4:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6,6]C[5]O)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	119.8702	1.454	9	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:2:4:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3)	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|N<2>,2|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[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	119.9980	0.756	7	119.9980	0.572	7	119.9980	0.572	7	119.8702	1.454	9	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:4:2:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	N[6]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O){2|C<3>,2|C<4>}	120.5510	0.000	1	120.5510	0.000	1	120.3080	0.118	2	120.3080	0.118	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	3:4:4:2:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	N[6]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O){2|C<3>,2|C<4>}	120.0650	0.000	1	120.0650	0.000	1	120.3080	0.118	2	120.3080	0.118	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	2:3:3:	C[6,6]-4:C[6]-3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(COO)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.2745	1.573	2	114.2745	2.475	2	114.2745	2.475	2	114.2745	2.475	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]H){1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>}	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1	117.4640	3.432	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[6,6]-3:O[6]-2:H-1:	O[6](C[6,6]C[4x6]O[6,6]H)(C[6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6])(H)	O[6](C[6,6]C[4x6]O[6,6]H)(C[6]C[6,6]H){2|C<3>,3|C<4>}	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	116.1540	0.000	1	116.1540	0.000	1	116.1540	0.000	1	117.4640	3.432	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	3:2:2:	C[6,6]-4:C[6]-3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6a]-3:O[6]-2:N[6]-2:	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]N[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(N[6]C[6])	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]N[6]){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(N[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	3:2:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[5,6]-3:O[6]-2:C-4:	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C)	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C){1|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	119.7735	0.693	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	3:2:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	119.7735	0.693	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	124.6140	0.341	2	124.2967	0.222	6	124.3383	0.197	7	124.3383	0.197	7	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	124.1380	0.480	4	124.2967	0.222	6	124.3383	0.197	7	124.3383	0.197	7	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	124.5880	0.000	1	124.5880	0.000	1	124.3383	0.197	7	124.3383	0.197	7	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:1:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	119.4157	0.648	3	119.4157	0.420	3	119.4157	0.420	3	119.4157	0.420	3	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6,6]C[6,6]2H)(C[6]C[6]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](C[6]C[6,6]H)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,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>}	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	115.5240	0.000	1	115.5240	0.000	1	115.5240	0.000	1	116.9127	1.446	3	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.6070	0.010	2	117.6070	0.000	2	117.6070	0.000	2	116.9127	1.446	3	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:1:	3:2:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6,6]C[6,6]2H)(C[6]C[6]C)	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](C[6]C[6,6]H)(O[6]C[6,6])(CH3)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,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>}	C[6](C[6]C[6,6]H)(O[6]C[6,6])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	116.9545	0.038	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:1:	3:2:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	116.9545	0.038	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]O){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6,6])(O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	123.7920	0.000	1	123.7920	0.000	1	123.7920	0.000	1	124.2670	0.451	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6,6]C[6a]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.7420	0.000	1	124.7420	0.000	1	124.7420	0.000	1	124.2670	0.451	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH){1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	117.0830	0.000	1	117.0830	0.000	1	117.0830	0.000	1	117.0830	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:2:	4:2:4:	C[6,6]-4:C[6]-3:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-4:O[6]-2:C-4:	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]C)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.7960	0.000	1	113.7960	0.000	1	113.7960	0.000	1	113.7960	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:2:4:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6,6]C[6,6]2C)(C[6]C[6]H)	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](C[6]C[6,6]H)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	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](C[6]C[6,6]H)(O[6]C[6,6])(H){1|C<3>,1|O<2>,3|C<4>}	118.1565	0.110	2	118.1565	0.012	2	118.1565	0.012	2	118.1565	0.012	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:3:2:	3:2:3:	C[6,6]-4:C[6]-3:	C[6]-4:C[6a]-3:N[6,6]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6a]C[6])	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.3105	0.292	2	113.3105	0.085	2	113.3105	0.085	2	113.3105	0.085	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:	C[5,3x6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6]-3:O[6]-2:H-1:	O[6](C[6,6]C[5,3x6]C[6a]C[6])(C[6]C[6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])	C[6](C[6]C[5,6,6]H)(O[6]C[6,6])(H)	O[6](C[6,6]C[5,3x6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[5,6,6]H)(O[6]C[6,6])(H){1|C<3>,1|O<2>,3|C<4>}	115.1950	0.000	1	115.1950	0.000	1	115.1950	0.000	1	115.1950	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](O[6]C[6,6])2(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](O[6]C[6,6])2(O){1|H<1>,4|C<4>}	124.5840	0.000	1	124.5840	0.000	1	124.5840	0.000	1	116.1200	31.212	6	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:N[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](O[6]C[6,6])(N[6]C[6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](O[6]C[6,6])(N[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	116.1200	31.212	6	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:H-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](O[6]C[6,6])(O[6]C[6])(H){2|C<4>,3|H<1>}	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	116.1200	31.212	6	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](O[6]C[6,6])2(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](O[6]C[6,6])2(O){1|C<3>,1|H<1>,3|C<4>}	112.8435	1.220	2	112.8435	1.488	2	115.2157	17.625	3	116.1200	31.212	6	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](O[6]C[6,6])(O[6]C[6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](O[6]C[6,6])(O[6]C[6])(O){2|C<4>,3|H<1>}	119.9600	0.000	1	119.9600	0.000	1	115.2157	17.625	3	116.1200	31.212	6	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|H<1>,3|C<4>}	118.0680	0.498	2	118.0680	0.248	2	118.0680	0.248	2	118.8875	8.024	11	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	118.8875	8.024	11	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|C<4>,3|H<1>}	124.3060	0.000	1	122.4375	6.983	2	119.8834	8.100	7	118.8875	8.024	11	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|C<4>,3|H<1>}	120.5690	0.000	1	122.4375	6.983	2	119.8834	8.100	7	118.8875	8.024	11	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|C<4>,3|H<1>}	122.2360	0.000	1	122.2360	0.000	1	119.8834	8.100	7	118.8875	8.024	11	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](O[6]C[6,6])(C[6]O[6]O)(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](O[6]C[6,6])(C[6]O[6]O)(O){1|H<1>,2|C<4>}	118.0182	1.744	4	118.0182	3.041	4	119.8834	8.100	7	118.8875	8.024	11	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](O[6]C[6,6])(N[6]C[6]S)(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O){1|S<4>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](O[6]C[6,6])(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	118.8875	8.024	11	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6,6])(O){1|H<1>,3|C<4>}	114.4550	0.000	1	114.4550	0.000	1	118.8777	15.779	3	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	121.0890	1.489	2	121.0890	2.218	2	118.8777	15.779	3	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6](N[6]C[6,6]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	120.4540	0.000	1	120.4540	0.000	1	120.4540	0.000	1	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	116.6530	0.000	1	116.6530	0.000	1	118.3009	0.780	10	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	117.5390	0.000	1	118.4705	1.735	2	118.3009	0.780	10	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	119.4020	0.000	1	118.4705	1.735	2	118.3009	0.780	10	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	118.9795	0.211	2	118.9795	0.045	2	118.3009	0.780	10	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	118.1740	0.000	1	118.1740	0.000	1	118.3009	0.780	10	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	118.3205	0.714	4	118.3205	0.510	4	118.3009	0.780	10	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O){1|H<1>,1|O<2>,3|C<4>}	122.0070	0.000	1	122.0070	0.000	1	122.0070	0.000	1	118.8069	3.865	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:2:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6]){2|C<4>,3|C<3>,4|H<1>}	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.708	4	119.7570	0.708	4	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6]){2|C<4>,3|C<3>,4|H<1>}	119.7570	1.030	3	119.7570	1.062	3	119.7570	0.708	4	119.7570	0.708	4	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	122.3450	0.000	1	122.3450	0.000	1	121.5431	3.129	7	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|N<2>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|H<1>,1|N<2>,3|C<4>}	121.8340	0.000	1	121.5940	0.115	2	121.5431	3.129	7	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|N<2>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	121.3540	0.000	1	121.5940	0.115	2	121.5431	3.129	7	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6]C[6,6]CN)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CN)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	123.8840	0.000	1	123.8840	0.000	1	121.5431	3.129	7	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	121.6750	0.438	2	120.4617	4.513	3	121.5431	3.129	7	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	118.0350	0.000	1	120.4617	4.513	3	121.5431	3.129	7	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H)	C[6](C[6]C[4,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O){1|I<1>,3|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	121.4225	0.252	2	121.4225	0.064	2	121.4225	0.064	2	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(O)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	124.8670	0.445	2	124.8670	0.198	2	125.2885	0.659	4	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O){1|H<1>,1|O<2>,3|C<4>}	124.9790	0.000	1	125.7100	1.069	2	125.2885	0.659	4	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.4410	0.000	1	125.7100	1.069	2	125.2885	0.659	4	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	119.2160	0.000	1	119.2160	0.000	1	117.8109	0.358	11	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	117.6268	0.433	4	117.6704	0.157	10	117.8109	0.358	11	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	117.5095	0.179	2	117.6704	0.157	10	117.8109	0.358	11	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	118.0750	0.000	1	117.6704	0.157	10	117.8109	0.358	11	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	117.1250	0.000	1	117.6704	0.157	10	117.8109	0.358	11	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	117.9890	0.304	2	117.6704	0.157	10	117.8109	0.358	11	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(O){3|C<4>,5|H<1>}	122.6090	0.000	1	122.6090	0.000	1	122.6090	0.000	1	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6]-4:C[3x6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[3x6]HO)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[6]C[3x6]HO)(O[6]C[6,6])(O){1|H<1>,1|N<3>,3|C<4>}	123.1320	0.000	1	123.1320	0.000	1	123.1320	0.000	1	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	119.2290	0.000	1	119.2290	0.000	1	120.4067	1.554	3	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|O<2>,2|O<1>,5|C<4>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	120.2790	0.000	1	120.2790	0.000	1	120.4067	1.554	3	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O){1|H<1>,1|N<3>,3|C<4>}	121.7120	0.000	1	121.7120	0.000	1	120.4067	1.554	3	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	123.0935	0.224	2	123.0935	0.050	2	123.0935	0.050	2	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6,6])(O){4|C<4>,4|H<1>}	116.8830	0.000	1	116.8830	0.000	1	116.8830	0.000	1	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]O)	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O){1|H<1>,5|C<4>}	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<4>}	121.8530	0.000	1	121.8530	0.000	1	119.9485	7.254	2	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	118.0440	0.000	1	118.0440	0.000	1	119.9485	7.254	2	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	120.5620	0.000	1	120.5620	0.000	1	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	120.5370	0.000	1	120.5370	0.000	1	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	124.1010	0.000	1	124.1010	0.000	1	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	122.8350	0.000	1	122.0765	1.151	2	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	121.3180	0.000	1	122.0765	1.151	2	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	121.0505	0.519	6	121.0505	0.270	6	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|N<3>,2|C<4>,2|H<1>}	120.5100	0.000	1	120.5100	0.000	1	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|C<4>,3|H<1>}	120.7350	0.000	1	118.3920	10.979	2	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	116.0490	0.000	1	118.3920	10.979	2	120.9250	3.046	14	120.6645	6.190	49	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	2:3:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	118.6014	0.637	15	118.6014	0.406	15	118.6014	0.406	15	118.6014	0.406	15	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	2:3:3:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6]C[6]2O[6])(C[6]C[6]C)	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(O[6]C[6]){2|H<1>,3|C<3>,4|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH){1|O<2>,4|C<4>}	116.0575	0.291	2	116.0575	0.084	2	116.0575	0.084	2	116.0575	0.084	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	3:2:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]O)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6])(O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.4230	2.581	3	119.4230	6.662	3	119.4230	6.662	3	118.0070	12.461	4	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	3:2:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:O[6]-2:H-1:	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.7590	0.000	1	113.7590	0.000	1	113.7590	0.000	1	118.0070	12.461	4	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2	C[6](C[6]O[6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]O){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,4|C<4>,6|H<1>}	C[6](C[6]O[6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>}	122.2110	0.000	1	122.2110	0.000	1	122.2110	0.000	1	120.0297	0.896	16	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	120.1621	1.067	7	120.1621	1.139	7	119.8843	0.597	15	120.0297	0.896	16	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	119.6411	0.270	8	119.6411	0.073	8	119.8843	0.597	15	120.0297	0.896	16	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:3:	2:3:1:	C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO)	C[6](O[6]C[6,6])(C[6]C[6]H)(O)	O[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	116.2295	0.538	2	116.2295	0.290	2	116.2295	0.290	2	116.2295	0.290	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:4:	2:2:1:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	O[6]-2:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]C)(C[6]O[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](O[6]C[6,6])2(O)	O[6](C[6,6]C[3x6]C[6]C)(C[6]O[6]O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](O[6]C[6,6])2(O){1|H<1>,4|C<4>}	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	121.8580	1.595	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:4:	2:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	O[6]-2:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]O)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH)	C[6](O[6]C[6,6])2(O)	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]O){2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](O[6]C[6,6])2(O){5|C<4>}	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	121.8580	1.595	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:4:	2:3:4:	C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]C)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:4:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O){3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>,4|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	121.5707	3.282	7	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:4:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(O){5|C<4>}	121.4220	0.013	2	121.4220	0.000	2	121.8763	3.153	6	121.5707	3.282	7	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:4:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){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)(O[6]C[6])(CCCO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	125.4160	0.000	1	125.4160	0.000	1	121.8763	3.153	6	121.5707	3.282	7	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:4:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	120.7135	0.163	2	120.9993	0.258	3	121.8763	3.153	6	121.5707	3.282	7	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:2:4:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	121.5710	0.000	1	120.9993	0.258	3	121.8763	3.153	6	121.5707	3.282	7	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:3:2:	2:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]OO)(C[6]C[6]O)(O[6]C[6])	C[6](O[6]C[6,6])2(O)	O[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,4|O<2>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]OO)(C[6]C[6]O)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6])2(O){1|C<3>,1|H<1>,3|C<4>}	121.5225	0.217	2	121.5225	0.047	2	121.5225	0.047	2	121.5225	0.047	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:3:2:	2:3:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]N)(H)	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	118.6750	0.000	1	118.6750	0.000	1	118.6750	0.000	1	120.4915	6.599	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:3:2:	2:3:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(C[6]C[6]C)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	O[6](C[6,6]C[6]3)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]C)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|C<3>,3|C<4>}	122.3080	0.000	1	122.3080	0.000	1	122.3080	0.000	1	120.4915	6.599	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:3:2:	3:3:2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6,6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6,6]C[6a])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6,6]C[6a]){3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6]){3|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	116.9240	0.000	1	116.9240	0.000	1	116.9240	0.000	1	116.9240	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:3:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,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)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|C<3>,1|H<1>,3|C<4>}	122.4170	0.000	1	122.4170	0.000	1	122.4170	0.000	1	123.3183	1.222	3	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:3:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6]3)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	123.7690	1.107	2	123.7690	1.226	2	123.7690	1.226	2	123.3183	1.222	3	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	2:3:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6]C[6]3)(C[6]N[6]O)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HS)(O[6]C[6])	C[6](O[6]C[6,6])(N[6]C[6]H)(O)	O[6](C[6,6]C[6]3)(C[6]N[6]O){1|S<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HS)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](O[6]C[6,6])(N[6]C[6]H)(O){1|H<1>,4|C<4>}	119.1775	0.518	2	119.1775	0.269	2	119.1775	0.269	2	119.1775	0.269	2	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	2:3:2:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	O[6]-2:N[6]-3:N-2:	O[6](C[6,6]C[6]3)(C[6]N[6]N)	C[6,6](C[6]C[6]HH)3(O[6]C[6])	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a])	O[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6]2O[6])(C[6]C[6]HH)2(O[6]C[6])	C[6](C[6,6]C[6,6a]O[6]2)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6]O){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O[6])(C[6]C[6]HH)2(O[6]C[6]){1|O<1>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6a]O[6]2)(O[6]C[6,6])(O){3|C<3>,3|C<4>}	122.1970	0.000	1	122.1970	0.000	1	122.1970	0.000	1	123.4010	1.599	5	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	C[6](C[6]N[6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6]3)(C[6]C[6]O){1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6,6])(O){1|H<1>,3|C<4>}	123.6790	0.000	1	123.6790	0.000	1	123.7020	1.528	4	123.4010	1.599	5	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6]3)(C[6]C[6]O){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	124.9430	0.000	1	123.7097	2.292	3	123.7020	1.528	4	123.4010	1.599	5	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6]3)(C[6]C[6]O){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	123.0930	1.517	2	123.7097	2.292	3	123.7020	1.528	4	123.4010	1.599	5	119.7091	8.060	213	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[3x6]	3:4:	4:2:4:4:	4:3:2:	C[3x6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:C[3x6]-3:O[6]-2:	O[6](C[3x6]C[3x6]2)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6])	O[6](C[3x6]C[3x6]2)(C[6]C[6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6]){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	2:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC){1|C<3>,1|H<1>,3|C<4>}	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	2:3:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6])(O[6]C[6]){3|H<1>,5|C<3>}	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	2:3:4:3:	3:3:2:	C[6,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	116.2170	0.000	1	116.2170	0.000	1	116.2170	0.000	1	116.2355	0.001	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	2:3:4:3:	3:3:2:	C[6,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<4>,4|C<3>}	116.2540	0.000	1	116.2540	0.000	1	116.2540	0.000	1	116.2355	0.001	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	2:3:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,1|C<3>,2|H<1>,4|C<4>}	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	2:3:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,6|C<4>}	118.7750	0.000	1	118.7750	0.000	1	118.7750	0.000	1	119.4875	1.015	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	2:3:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	120.2000	0.000	1	120.2000	0.000	1	120.2000	0.000	1	119.4875	1.015	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2{1|C<4>,4|C<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	113.9285	1.903	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH){1|C<4>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	112.9530	0.000	1	112.9530	0.000	1	112.9530	0.000	1	113.9285	1.903	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:2:3:2:	3:3:2:	C[6,6]-3:C[6]-4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]C[6]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]C[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6]){1|H<1>,1|O<2>,8|C<3>}	116.6400	0.000	1	116.6400	0.000	1	116.6400	0.000	1	116.6400	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:2:3:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	117.2950	0.000	1	117.2950	0.000	1	117.2950	0.000	1	117.2950	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:2:4:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	115.2425	0.509	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:2:4:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6])(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	115.7470	0.000	1	115.7470	0.000	1	115.7470	0.000	1	115.2425	0.509	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:2:4:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.6230	0.000	1	116.6230	0.000	1	116.6230	0.000	1	116.6230	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:3:2:3:	3:3:2:	C[6,6]-3:C[6]-4:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6]){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:4:2:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:4:2:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[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[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	114.5870	0.000	1	115.5185	1.735	2	115.5185	1.735	2	115.5185	1.735	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:4:2:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[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[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	116.4500	0.000	1	115.5185	1.735	2	115.5185	1.735	2	115.5185	1.735	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	3:4:2:2:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	118.4395	0.545	2	118.4395	0.297	2	118.4395	0.297	2	118.4395	0.297	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{3|C<3>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	115.4745	1.142	2	115.4745	1.304	2	115.4745	1.304	2	116.3780	1.354	14	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6,6a]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[6,6,6a]C[6])(C[6]C[6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.0915	0.422	6	117.0915	0.178	6	117.0915	0.178	6	116.3780	1.354	14	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.8115	0.493	2	115.0787	1.733	3	115.0787	1.733	3	116.3780	1.354	14	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	113.6130	0.000	1	115.0787	1.733	3	115.0787	1.733	3	116.3780	1.354	14	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.8527	0.870	3	116.8527	0.757	3	116.8527	0.757	3	116.3780	1.354	14	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2	C[6,6](C[6,6]C[3,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH){3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[3,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	114.8740	0.000	1	114.8740	0.000	1	114.8740	0.000	1	114.4426	2.669	5	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(O[6]C[6]){1|O<2>,2|C<4>,5|H<1>}	112.9585	0.255	2	112.9585	0.065	2	112.9585	0.065	2	114.4426	2.669	5	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6,6]-4:O[6]-2:	O[6](C[6,6]C[6,6]2)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[6,6]C[6]O[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]2)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[6,6]C[6]O[6]H)(O[6]C[6]){1|C<3>,4|H<1>,6|C<4>}	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	114.4426	2.669	5	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	114.4426	2.669	5	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	117.1550	0.000	1	117.1550	0.000	1	117.1550	0.000	1	118.2395	2.352	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|C<4>,6|H<1>}	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	118.2395	2.352	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:2:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]SeH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]SeH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H){2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|Se<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	117.8530	0.000	1	117.8530	0.000	1	117.8530	0.000	1	117.8530	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:2:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	117.4300	0.000	1	117.4300	0.000	1	116.2070	2.991	2	116.2070	2.991	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:2:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HO)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HO)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	114.9840	0.000	1	114.9840	0.000	1	116.2070	2.991	2	116.2070	2.991	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:2:1:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[4x6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6,6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HO){2|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2)(O[6]C[6]){2|O<2>,5|C<4>,9|H<1>}	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:3:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:3:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:3:1:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H)	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6])	O[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]CH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	117.2440	19.644	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:3:1:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	120.3780	0.000	1	120.3780	0.000	1	120.3780	0.000	1	117.2440	19.644	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:3:2:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	117.3395	1.027	2	117.3395	1.056	2	117.3395	1.056	2	117.3395	1.056	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:3:2:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:3:3:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:N-3:C-3:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CN)	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CN){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO){1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:3:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]C){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,7|C<4>}	117.1540	0.000	1	117.1540	0.000	1	117.1540	0.000	1	117.1540	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:1:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,3|H<1>,5|C<4>}	116.5620	0.000	1	116.5620	0.000	1	116.5620	0.000	1	116.5620	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:2:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-3:N[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]N[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[6,6]N[6])(C[6]C[6]CO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH){1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,4|C<4>}	116.3770	0.000	1	116.3770	0.000	1	116.3770	0.000	1	116.3360	0.003	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:2:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi){1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	116.3360	0.003	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:2:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	117.9430	0.000	1	117.9430	0.000	1	117.9430	0.000	1	117.9430	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	118.1800	2.528	3	118.1800	6.391	3	118.5844	7.134	7	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	116.9150	0.392	2	117.3660	0.687	3	118.5844	7.134	7	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	118.2680	0.000	1	117.3660	0.687	3	118.5844	7.134	7	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	123.4530	0.000	1	123.4530	0.000	1	118.5844	7.134	7	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CC)	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	118.6255	1.043	2	118.6255	1.088	2	118.9847	0.931	3	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	119.7030	0.000	1	119.7030	0.000	1	118.9847	0.931	3	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	117.9950	0.000	1	117.9950	0.000	1	117.9580	0.002	3	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	117.9720	0.000	1	117.9720	0.000	1	117.9580	0.002	3	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|H<1>,1|N<4>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<4>,1|O<1>,2|C<3>,3|C<4>}	117.9070	0.000	1	117.9070	0.000	1	117.9580	0.002	3	118.5322	3.858	13	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,7|C<4>}	117.4463	0.458	3	117.8817	0.898	4	117.8817	0.898	4	118.7029	2.717	15	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,7|C<4>}	119.1880	0.000	1	117.8817	0.898	4	117.8817	0.898	4	118.7029	2.717	15	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CC){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	117.7370	0.000	1	118.0385	0.182	2	118.0385	0.182	2	118.7029	2.717	15	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CC){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	118.3400	0.000	1	118.0385	0.182	2	118.0385	0.182	2	118.7029	2.717	15	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	118.6760	1.235	3	119.2156	3.653	9	119.2156	3.653	9	118.7029	2.717	15	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){2|H<1>,2|O<1>,4|C<4>}	118.9070	0.000	1	119.2156	3.653	9	119.2156	3.653	9	118.7029	2.717	15	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|H<1>,2|O<1>,5|C<4>}	119.6010	2.473	5	119.2156	3.653	9	119.2156	3.653	9	118.7029	2.717	15	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[3,6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	118.5111	4.630	11	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-3:O[6]-2:	O[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|O<1>,4|H<1>,5|C<4>}	121.0567	0.440	3	121.0567	0.193	3	121.0567	0.193	3	118.5111	4.630	11	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[4,6,6]-4:C[6]-3:O[6]-2:	O[6](C[6,6]C[4,6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C[6,6](C[4,6,6]C[4,6]C[4]C[6])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[4,6,6]C[6])(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[4,6,6]C[4,6]C[4]C[6])(C[6]C[6]H)(O[6]C[6]){2|H<1>,2|O<1>,6|C<4>}	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	118.5111	4.630	11	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[5,6,6]-4:C[6]-3:O[6]-2:	O[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	118.5111	4.630	11	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	118.3975	1.186	2	118.3975	1.406	2	118.3975	1.406	2	118.5111	4.630	11	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	118.5111	4.630	11	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	117.0020	0.000	1	117.0020	0.000	1	117.3695	0.270	2	118.5111	4.630	11	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	117.7370	0.000	1	117.7370	0.000	1	117.3695	0.270	2	118.5111	4.630	11	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:4:2:4:	3:3:2:	C[6,6]-3:C[6]-4:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C){2|C<3>,3|H<1>,4|C<4>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	121.5270	0.000	1	121.5270	0.000	1	121.5270	0.000	1	121.5270	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	3:4:	4:4:2:4:	3:4:2:	C[6,6]-3:C[6]-4:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C){2|C<3>,3|H<1>,5|C<4>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|H<1>,2|O<1>,5|C<4>}	120.1076	1.433	5	120.1076	2.055	5	120.1076	2.055	5	120.1076	2.055	5	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	4:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6,6]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:N[6]-3:O[6]-2:	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]N[6]){1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	116.2925	0.817	2	116.2925	0.667	2	116.2925	0.667	2	116.2925	0.667	2	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6,6]	4:3:	4:3:2:1:	3:4:2:	C[6]-4:C[6,6]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6]){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	117.4462	4.724	106	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](O[6]C[6,6a])(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]HH){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|H<1>}	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:3:1:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-3:H-1:	C[6,6]-4:O[6]-2:H-1:	O[6](C[6]C[6,6]H)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.7267	0.052	3	115.7267	0.003	3	116.0373	0.706	10	116.0373	0.706	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.7888	0.717	5	115.7888	0.514	5	116.0373	0.706	10	116.0373	0.706	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.9400	0.000	1	117.9400	0.000	1	116.0373	0.706	10	116.0373	0.706	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.3090	0.000	1	116.3090	0.000	1	116.0373	0.706	10	116.0373	0.706	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:1:	3:2:2:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]N)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC)	O[6](C[6]C[6,6a]N)(C[6]O[6]CH){1|C<3>,1|N<2>}	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:3:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-3:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[3x6]-3:O[6]-2:O-1:	O[6](C[6]C[3x6]O)(C[6]O[6]CC)	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2	C[6](C[3x6]C[4x6]C[6,6])(O[6]C[6])(O)	O[6](C[6]C[3x6]O)(C[6]O[6]CC){1|C<3>,1|C<4>}	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[3x6]C[4x6]C[6,6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.2030	0.000	1	117.2030	0.000	1	117.8195	0.760	2	118.7779	0.435	15	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[3x6]-3:O[6]-2:O-1:	O[6](C[6]C[3x6]O)(C[6]O[6]CC)	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2	C[6](C[3x6]C[5,4x6]C[6,6])(O[6]C[6])(O)	O[6](C[6]C[3x6]O)(C[6]O[6]CC){1|C<3>,1|C<4>}	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	118.4360	0.000	1	118.4360	0.000	1	117.8195	0.760	2	118.7779	0.435	15	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	119.2365	0.762	2	119.2365	0.580	2	118.9254	0.268	13	118.7779	0.435	15	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|B<3>,1|O<2>,2|C<3>,2|C<4>}	117.5930	0.000	1	118.8688	0.240	11	118.9254	0.268	13	118.7779	0.435	15	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	118.9964	0.261	10	118.8688	0.240	11	118.9254	0.268	13	118.7779	0.435	15	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	119.2765	0.445	2	119.1562	0.192	4	119.1562	0.192	4	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.0360	0.566	2	119.1562	0.192	4	119.1562	0.192	4	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6]C[4,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[4,6]C[4,5]C[6]N[4])(O[6]C[6])(O)	O[6](C[6]C[4,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[4,6]C[4,5]C[6]N[4])(O[6]C[6])(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	122.7565	0.391	2	122.7565	0.153	2	122.7565	0.153	2	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	122.4100	0.161	4	122.4100	0.026	4	120.5156	3.101	11	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	119.4331	1.182	7	119.4331	1.396	7	120.5156	3.101	11	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:H-1:	O[6](C[6]C[6,6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]O[6]CC){1|C<3>,2|C<4>}	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	112.9990	0.000	1	112.9990	0.000	1	112.9990	0.000	1	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	122.0740	1.355	2	122.0740	1.836	2	123.8968	2.727	10	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|S<2>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.3270	0.574	2	124.1058	0.313	4	123.8968	2.727	10	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|S<2>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6,6]C[6]2S[6])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	123.8845	0.644	2	124.1058	0.313	4	123.8968	2.727	10	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	126.3575	0.381	2	124.5992	4.325	4	123.8968	2.727	10	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	2:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	122.8410	0.682	2	124.5992	4.325	4	123.8968	2.727	10	121.4206	8.208	28	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	121.6000	0.000	1	121.6000	0.000	1	119.5215	8.640	2	119.3780	4.382	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){3|C<3>,3|H<1>}	117.4430	0.000	1	117.4430	0.000	1	119.5215	8.640	2	119.3780	4.382	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]HH){3|C<3>}	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){3|C<3>,3|H<1>}	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	119.3780	4.382	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[5a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[5a]N[6])(C[6]C[6]HH)	C[6](C[6]N[6]O)(O[6]C[6])(H)2	C[6](C[5a]C[5a]S[5a])(N[6]N[6])(O[6]C[6])	O[6](C[6]C[5a]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[5a]C[5a]S[5a])(N[6]N[6])(O[6]C[6]){3|C<3>,4|H<1>}	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[5]-3:C[6]-3:O[6]-2:	O[6](C[6]C[5]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[5]C[6])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	119.2790	0.427	3	119.2790	0.182	3	119.2790	0.182	3	117.1078	11.642	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2{1|S<4>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,1|S<4>,4|C<3>,4|H<1>}	116.1800	0.000	1	116.1800	0.000	1	116.1800	0.000	1	117.1078	11.642	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-3:N[6]-3:O[6]-2:	O[6](C[6]C[6]N[6])(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6]O)(N[6]C[6]2)(O[6]C[6])	O[6](C[6]C[6]N[6])(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]O)(N[6]C[6]2)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	117.1078	11.642	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[4x6]-4:O[6]-2:O-1:	O[6](C[6]C[4x6]O)(C[6]C[6]HH)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[6](C[4x6]C[3x6]C[4x6]C[6])(O[6]C[6])(O)	O[6](C[6]C[4x6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[4x6]C[3x6]C[4x6]C[6])(O[6]C[6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	122.4750	0.000	1	121.6895	1.234	2	122.1520	1.259	3	121.4090	3.047	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[4x6]-4:O[6]-2:O-1:	O[6](C[6]C[4x6]O)(C[6]C[6]HH)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[6](C[4x6]C[3x6]C[4x6]C[6])(O[6]C[6])(O)	O[6](C[6]C[4x6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4x6]C[3x6]C[4x6]C[6])(O[6]C[6])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	120.9040	0.000	1	121.6895	1.234	2	122.1520	1.259	3	121.4090	3.047	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[4x6]-4:O[6]-2:O-1:	O[6](C[6]C[4x6]O)(C[6]C[6]HH)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(O)	O[6](C[6]C[4x6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	123.0770	0.000	1	123.0770	0.000	1	122.1520	1.259	3	121.4090	3.047	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	119.1800	0.000	1	119.1800	0.000	1	119.1800	0.000	1	121.4090	3.047	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[5,6]C[5,6]C[5]O[6])(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]O[6])(O[6]C[6])(O){1|C<3>,3|H<1>,5|C<4>}	123.2260	0.000	1	123.2260	0.000	1	123.2260	0.000	1	121.9947	1.145	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<1>,2|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>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<3>,3|C<4>}	121.3790	0.127	2	121.3790	0.016	2	121.3790	0.016	2	121.9947	1.145	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:2:	3:3:2:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:O-2:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:3:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-3:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|H<1>,1|O<1>,2|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>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(O){3|C<3>,5|C<4>}	120.0580	0.000	1	119.3798	0.540	5	119.3798	0.540	5	119.3798	0.540	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:3:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-3:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|H<1>,1|O<1>,2|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>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(O){4|C<3>,4|C<4>}	119.2103	0.727	4	119.3798	0.540	5	119.3798	0.540	5	119.3798	0.540	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-4:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]CC)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]CC){1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){3|C<3>,3|C<4>}	124.7830	0.000	1	124.7830	0.000	1	124.7830	0.000	1	123.1883	1.908	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]C)(O[6]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CC){3|C<3>}	C[6](C[6]C[6,6a]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	122.4220	0.000	1	122.4220	0.000	1	122.3910	0.002	2	123.1883	1.908	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CC){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	122.3600	0.000	1	122.3600	0.000	1	122.3910	0.002	2	123.1883	1.908	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-4:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]C[6]CC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	123.8810	0.385	2	123.8810	0.148	2	123.8810	0.148	2	124.4672	0.347	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	124.6690	0.000	1	124.6690	0.000	1	124.8580	0.048	3	124.4672	0.347	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	3:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C[6](C[5,6]C[5]2N[6])(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C[6](C[5,6]C[5]2N[6])(O[6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	124.9525	0.207	2	124.9525	0.043	2	124.8580	0.048	3	124.4672	0.347	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-3:O[6]-2:O-1:	O[6](C[6]C[3x6]O)(C[6]C[6]HH)	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O)	O[6](C[6]C[3x6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	118.3215	0.170	2	118.3215	0.029	2	118.3215	0.029	2	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-3:O[6]-2:H-1:	O[6](C[6]C[4,6]H)(C[6]C[6]HH)	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	C[6](C[4,6]C[4,6]C[4])(O[6]C[6])(H)	O[6](C[6]C[4,6]H)(C[6]C[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.3970	0.000	1	114.3970	0.000	1	114.3970	0.000	1	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	120.3330	0.000	1	120.3330	0.000	1	119.1700	1.810	5	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.0560	0.000	1	119.0560	0.000	1	119.1700	1.810	5	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8250	0.000	1	119.8250	0.000	1	119.1700	1.810	5	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	119.7310	0.000	1	118.3180	3.993	2	119.1700	1.810	5	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	116.9050	0.000	1	118.3180	3.993	2	119.1700	1.810	5	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O){2|C<4>,2|O<2>,3|H<1>}	120.5230	0.000	1	120.5230	0.000	1	119.8873	0.479	6	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|N<3>,2|C<4>,4|H<1>}	119.4560	0.000	1	119.4560	0.000	1	119.8873	0.479	6	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]2)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	118.7420	0.000	1	118.7420	0.000	1	119.8873	0.479	6	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	120.2225	0.442	2	120.2010	0.099	3	119.8873	0.479	6	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|C<4>,4|H<1>}	120.1580	0.000	1	120.2010	0.099	3	119.8873	0.479	6	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	117.5250	0.737	2	117.5250	0.543	2	117.9955	0.479	4	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	118.4010	0.000	1	118.4660	0.008	2	117.9955	0.479	4	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	118.5310	0.000	1	118.4660	0.008	2	117.9955	0.479	4	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[3,6]-3:O[6]-2:O-1:	O[6](C[6]N[3,6]O)(C[6]C[6]HH)	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2	C[6](N[3,6]C[3,3x6]C[3,6,6])(O[6]C[6])(O)	O[6](C[6]N[3,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](N[3,6]C[3,3x6]C[3,6,6])(O[6]C[6])(O){3|C<4>,3|H<1>}	118.7250	0.000	1	118.7250	0.000	1	119.1875	0.428	2	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[3,6]-3:O[6]-2:O-1:	O[6](C[6]N[3,6]O)(C[6]C[6]HH)	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2	C[6](N[3,6]C[3,3]C[3,6])(O[6]C[6])(O)	O[6](C[6]N[3,6]O)(C[6]C[6]HH){4|C<4>}	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[3,6]C[3,3]C[3,6])(O[6]C[6])(O){1|N<3>,2|C<4>,3|H<1>}	119.6500	0.000	1	119.6500	0.000	1	119.1875	0.428	2	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	O[6](C[6]N[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]N[6,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	118.7655	2.054	22	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN)	O[6](C[6]C[6,6a]N)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN){1|C<4>,2|C<3>,3|H<1>}	116.4330	0.000	1	116.4330	0.000	1	117.4650	2.573	3	117.4650	2.573	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6,6a]N)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,2|C<3>,3|H<1>}	116.6490	0.000	1	116.6490	0.000	1	117.4650	2.573	3	117.4650	2.573	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	O[6](C[6]C[6,6a]N)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,2|C<3>,3|H<1>}	119.3130	0.000	1	119.3130	0.000	1	117.4650	2.573	3	117.4650	2.573	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:3:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:C-3:	O[6](C[6]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)	O[6](C[6]C[6,6a]C)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH){1|C<4>,2|C<3>,3|H<1>}	118.6070	0.000	1	118.6070	0.000	1	118.6070	0.000	1	118.6070	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:4:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	O[6](C[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	118.9040	0.000	1	118.9040	0.000	1	118.9040	0.000	1	118.9040	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6])	O[6](C[6]C[5a]C[6])(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	115.3130	0.639	2	115.3130	0.409	2	115.3130	0.409	2	115.5073	1.766	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	115.6380	0.000	1	115.6380	0.000	1	116.8233	0.875	4	115.5073	1.766	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|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>}	117.2183	0.613	3	117.2183	0.375	3	116.8233	0.875	4	115.5073	1.766	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	114.8530	0.000	1	114.8755	0.001	2	114.5322	0.718	5	115.5073	1.766	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	114.8980	0.000	1	114.8755	0.001	2	114.5322	0.718	5	115.5073	1.766	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	115.0860	0.000	1	115.0860	0.000	1	114.5322	0.718	5	115.5073	1.766	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|I<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	114.7950	0.000	1	114.7950	0.000	1	114.5322	0.718	5	115.5073	1.766	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	113.0290	0.000	1	113.0290	0.000	1	114.5322	0.718	5	115.5073	1.766	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[3,5,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,5,6]O)(C[6]C[5,6]HH)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O)	O[6](C[6]C[3,5,6]O)(C[6]C[5,6]HH){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O){3|C<4>,6|H<1>}	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3,5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[3,3x6]C[6]2)(O[6]C[6])(H)2	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O)	O[6](C[6]C[3,5,6,6]O)(C[6]C[6,6]HH){5|C<4>}	C[6](C[6,6]C[3,3x6]C[6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O){4|C<4>,5|H<1>}	122.1100	0.000	1	122.1100	0.000	1	122.1100	0.000	1	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	118.6785	0.067	2	118.7222	0.238	6	118.9176	0.516	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|O<1>,4|C<4>,5|H<1>}	118.5980	0.000	1	118.7222	0.238	6	118.9176	0.516	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	117.9190	0.000	1	118.7222	0.238	6	118.9176	0.516	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	119.2295	0.083	2	118.7222	0.238	6	118.9176	0.516	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	119.1990	0.000	1	119.2108	0.960	4	118.9176	0.516	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	119.5460	0.000	1	119.2108	0.960	4	118.9176	0.516	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	120.2140	0.000	1	119.2108	0.960	4	118.9176	0.516	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){5|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	117.8840	0.000	1	119.2108	0.960	4	118.9176	0.516	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6,6]O)(C[6]C[6]HH)	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[3,6,6]O)(C[6]C[6]HH){1|N<3>,4|C<4>}	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O){3|C<4>,5|H<1>}	120.2320	0.000	1	120.2320	0.000	1	120.2320	0.000	1	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.9790	0.025	2	122.9790	0.001	2	122.2129	1.105	7	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O){1|C<3>,1|C<4>,4|H<1>}	121.1770	0.000	1	121.1770	0.000	1	122.2129	1.105	7	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH){1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){1|C<4>,5|H<1>}	120.4930	0.000	1	121.4395	1.792	2	122.2129	1.105	7	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH){1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){2|C<4>,4|H<1>}	122.3860	0.000	1	121.4395	1.792	2	122.2129	1.105	7	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|C<4>,7|H<1>}	122.0880	0.000	1	122.7380	0.845	2	122.2129	1.105	7	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,6|H<1>}	123.3880	0.000	1	122.7380	0.845	2	122.2129	1.105	7	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:O[6]-2:O-1:	O[6](C[6]C[3x6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[3x6]C[6,6a]C[6,6]2)(O[6]C[6])(O)	O[6](C[6]C[3x6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[3x6]C[6,6a]C[6,6]2)(O[6]C[6])(O){2|C<4>,4|C<3>,4|H<1>}	123.4615	0.001	2	123.4615	0.000	2	123.4615	0.000	2	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6]C[4,6]O)(C[6]C[6]HH)	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2	C[6](C[4,6]N[4,6]C[4]H)(O[6]C[6])(O)	O[6](C[6]C[4,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[4,6]N[4,6]C[4]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	116.6217	1.353	3	116.9587	1.676	4	116.9587	1.676	4	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6]C[4,6]O)(C[6]C[6]HH)	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2	C[6](C[4,6]N[4,6]C[4]H)(O[6]C[6])(O)	O[6](C[6]C[4,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[4,6]N[4,6]C[4]H)(O[6]C[6])(O){1|C<3>,2|C<4>,3|H<1>}	117.9700	0.000	1	116.9587	1.676	4	116.9587	1.676	4	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,5,6]O)(C[6]C[6]HH)	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(O)	O[6](C[6]C[5,5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>}	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	119.8060	0.000	1	119.8060	0.000	1	119.8060	0.000	1	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]O)(C[6]C[6]HH)	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(O)	O[6](C[6]C[5,6,6]O)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(O){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	118.5425	1.133	2	118.5425	1.285	2	118.5425	1.285	2	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){4|C<4>,4|H<1>}	119.1160	0.000	1	119.1160	0.000	1	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	119.7490	0.000	1	119.7490	0.000	1	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5,6]H)(O[6]C[6])(O){3|H<1>,4|C<4>}	116.8570	0.000	1	116.8570	0.000	1	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	121.7180	0.000	2	121.7180	0.000	2	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.8410	0.000	1	117.8410	0.000	1	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|C<4>,4|H<1>}	121.0220	0.000	1	121.0220	0.000	1	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C[6](C[5,6]N[5,6]C[6a]C[5])(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]C[6a]C[5])(O[6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.2030	0.000	1	118.2030	0.000	1	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	119.7530	0.000	1	117.5675	9.553	2	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){3|C<4>,4|H<1>}	115.3820	0.000	1	117.5675	9.553	2	119.1359	4.387	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	116.2060	0.000	1	116.2060	0.000	1	120.4049	7.515	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	119.6778	2.278	4	120.6075	6.147	8	120.4049	7.515	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	122.8317	0.470	3	120.6075	6.147	8	120.4049	7.515	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	117.6540	0.000	1	120.6075	6.147	8	120.4049	7.515	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){2|C<3>,2|C<4>,6|H<1>}	122.9830	0.000	1	122.9830	0.000	1	120.4049	7.515	10	119.7934	5.521	49	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:2:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:O[6]-2:H-1:	O[6](C[6]C[6,6]H)(C[6]C[6]HO)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.2140	0.000	1	114.2140	0.000	1	114.2140	0.000	1	116.6070	11.453	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:2:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]HO)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]HO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	116.6070	11.453	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:2:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6]HO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.3910	0.212	2	118.3910	0.045	2	118.3910	0.045	2	118.3910	0.045	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:2:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[5a]C[6])(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	117.2720	1.857	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:2:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.4230	0.000	1	117.4230	0.000	1	117.9880	0.638	2	117.2720	1.857	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:2:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.5530	0.000	1	118.5530	0.000	1	117.9880	0.638	2	117.2720	1.857	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	122.0230	0.000	1	120.0795	7.554	2	121.7547	12.196	3	119.7135	6.649	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.1360	0.000	1	120.0795	7.554	2	121.7547	12.196	3	119.7135	6.649	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	125.1050	0.000	1	125.1050	0.000	1	121.7547	12.196	3	119.7135	6.649	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.3910	0.000	1	118.3903	0.771	3	118.4888	0.539	5	119.7135	6.649	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	117.8900	0.202	2	118.3903	0.771	3	118.4888	0.539	5	119.7135	6.649	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	118.1170	0.000	1	118.1170	0.000	1	118.4888	0.539	5	119.7135	6.649	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.1560	0.000	1	119.1560	0.000	1	118.4888	0.539	5	119.7135	6.649	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:3:2:	C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	113.6762	1.089	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	114.3905	0.317	2	113.8752	1.188	4	113.8752	1.188	4	113.6762	1.089	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	113.3600	1.550	2	113.8752	1.188	4	113.8752	1.188	4	113.6762	1.089	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a,6]O)(C[6]C[6]CH)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	O[6](C[6]C[5a,6]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	120.2690	1.448	3	120.2690	2.098	3	120.2690	2.098	3	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|H<1>,4|C<4>}	122.0233	1.355	4	122.0233	1.836	4	121.7455	1.309	6	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|O<2>,2|H<1>,4|C<4>}	121.1900	0.330	2	121.1900	0.109	2	121.7455	1.309	6	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6650	0.546	2	118.6650	0.298	2	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	120.2940	0.000	1	120.2940	0.000	1	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	119.5050	0.000	1	119.5050	0.000	1	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	118.9480	0.000	1	118.9480	0.000	1	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.1930	0.000	1	119.1930	0.000	1	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.4207	0.449	9	118.4207	0.202	9	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.1000	0.000	1	119.1000	0.000	1	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6846	0.897	17	118.6846	0.805	17	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	117.9450	0.013	2	117.9450	0.000	2	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.4430	0.156	2	119.9905	0.476	4	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	120.5380	0.454	2	119.9905	0.476	4	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.6820	0.654	7	119.6794	0.367	8	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	119.6610	0.000	1	119.6794	0.367	8	118.9592	0.771	47	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-3:O[6]-2:O-1:	O[6](C[6]N[5,6]O)(C[6]C[6]CH)	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	O[6](C[6]N[5,6]O)(C[6]C[6]CH){1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){4|C<4>,4|H<1>}	122.3590	0.232	2	122.3590	0.054	2	122.3590	0.054	2	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	N[6,6]-3:O[6]-2:O-1:	O[6](C[6]N[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]N[6,6]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){4|C<4>,4|H<1>}	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	119.4283	1.865	59	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5])	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5]){2|C<3>,2|C<4>,2|H<1>}	118.6310	0.000	1	118.6310	0.000	1	117.8317	1.140	3	117.4110	1.468	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){2|C<3>,2|C<4>,2|H<1>}	116.6190	0.000	1	116.6190	0.000	1	117.8317	1.140	3	117.4110	1.468	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){2|C<3>,2|C<4>,2|H<1>}	118.2450	0.000	1	118.2450	0.000	1	117.8317	1.140	3	117.4110	1.468	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	116.1490	0.000	1	116.1490	0.000	1	116.1490	0.000	1	117.4110	1.468	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:3:2:	C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H){3|H<1>,4|C<3>}	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	118.5030	0.000	1	118.5030	0.000	1	118.5030	0.000	1	115.6767	4.058	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	115.5760	0.000	1	115.5760	0.000	1	114.7347	0.762	3	115.6767	4.058	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	113.8330	0.000	1	113.8330	0.000	1	114.7347	0.762	3	115.6767	4.058	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	114.7950	0.000	1	114.7950	0.000	1	114.7347	0.762	3	115.6767	4.058	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:O[6]-2:O-1:	O[6](C[6]C[3x6]O)(C[6]C[6]CH)	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(O[6]C[6])(O)	O[6](C[6]C[3x6]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(O[6]C[6])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	120.0935	11.892	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	116.1735	0.035	2	116.1735	0.001	2	117.7977	7.914	3	120.0935	11.892	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	121.0460	0.000	1	121.0460	0.000	1	117.7977	7.914	3	120.0935	11.892	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|O<2>,3|C<4>,3|H<1>}	119.7730	0.000	1	119.7730	0.000	1	121.4808	12.355	6	120.0935	11.892	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|O<2>,2|H<1>,5|C<4>}	115.5360	0.000	1	115.5360	0.000	1	121.4808	12.355	6	120.0935	11.892	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){3|H<1>,5|C<4>}	124.1130	0.000	1	124.1130	0.000	1	121.4808	12.355	6	120.0935	11.892	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	123.9965	1.983	2	123.1543	4.095	3	121.4808	12.355	6	120.0935	11.892	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){2|H<1>,2|O<2>,4|C<4>}	121.4700	0.000	1	123.1543	4.095	3	121.4808	12.355	6	120.0935	11.892	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:2:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|O<2>}	119.3030	0.000	1	119.3030	0.000	1	119.5865	0.161	2	119.5865	0.161	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:2:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CO)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8700	0.000	1	119.8700	0.000	1	119.5865	0.161	2	119.5865	0.161	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:2:	3:2:3:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-3:O[6]-2:C-3:	O[6](C[6]C[6,6]C)(C[6]C[6]CO)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO)	O[6](C[6]C[6,6]C)(C[6]C[6]CO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO){1|O<2>,3|H<1>,4|C<4>}	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:2:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	116.4445	0.175	2	116.4445	0.031	2	116.6680	0.130	4	116.6680	0.130	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:2:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	116.8915	0.400	2	116.8915	0.160	2	116.6680	0.130	4	116.6680	0.130	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	121.9560	0.000	1	121.9560	0.000	1	121.6470	0.191	2	121.5217	0.143	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	121.3380	0.000	1	121.3380	0.000	1	121.6470	0.191	2	121.5217	0.143	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CC){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<3>,3|C<4>}	121.2710	0.000	1	121.2710	0.000	1	121.2710	0.000	1	121.5217	0.143	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:4:	3:2:4:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]C)(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	O[6](C[6]C[6,6]C)(C[6]C[6]CC){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){2|H<1>,6|C<4>}	116.2410	0.000	1	116.2410	0.000	1	116.2410	0.000	1	116.2410	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:4:	3:3:2:	C[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<3>,3|C<4>,3|H<1>}	116.5150	0.000	1	116.5150	0.000	1	116.5150	0.000	1	117.8200	1.484	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:4:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	118.4725	0.643	2	118.4725	0.413	2	118.4725	0.413	2	117.8200	1.484	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]CC){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|H<1>,5|C<4>}	123.2230	0.000	1	123.2230	0.000	1	124.0685	1.430	2	124.0685	1.430	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:2:4:4:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]CC){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|H<1>,5|C<4>}	124.9140	0.000	1	124.9140	0.000	1	124.0685	1.430	2	124.0685	1.430	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:4:2:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:C-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	118.8875	0.095	2	118.8875	0.009	2	118.8875	0.009	2	118.8875	0.009	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:4:2:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6]C[4,6]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(O)	O[6](C[6]C[4,6]O)(C[6]C[6]2H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	119.4750	1.234	3	119.2535	1.211	4	119.2535	1.211	4	119.2535	1.211	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	3:4:	4:4:2:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6]C[4,6]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(O)	O[6](C[6]C[4,6]O)(C[6]C[6]2H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(O){3|H<1>,4|C<4>}	118.5890	0.000	1	119.2535	1.211	4	119.2535	1.211	4	119.2535	1.211	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]O[6]CH)(C[6]C[6]H)	C[6](O[6]C[6])2(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]O[6]CH)(C[6]C[6]H){2|C<4>}	C[6](O[6]C[6])2(CC3)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:3:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CC3)(CCC)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>}	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:3:	3:2:4:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-3:O[6]-2:C-4:	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CC3)(CCC)	C[6](C[6]C[6]C)(O[6]C[6])(CC3)	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CC3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	117.7280	0.000	1	117.7280	0.000	1	117.7280	0.000	1	117.7280	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CCHH)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CCHH)(CH3){1|C<3>,2|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	118.8670	0.255	2	118.8670	0.065	2	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	116.5046	0.659	10	117.6821	1.136	30	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	118.7375	0.965	2	117.6821	1.136	30	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	118.6385	0.497	8	117.6821	1.136	30	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	117.9478	0.667	6	117.6821	1.136	30	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	117.7870	0.293	4	117.6821	1.136	30	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[5a]C[6])(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[5a]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	119.0010	1.225	4	119.0010	1.500	4	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]2)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	117.9200	0.000	1	118.0498	0.545	15	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]2)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	117.8581	0.645	8	118.0498	0.545	15	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]2)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	118.3270	0.889	6	118.0498	0.545	15	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<2>,1|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>}	118.8060	0.000	1	118.4202	0.666	173	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>}	116.8100	0.000	1	118.4202	0.666	173	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,2|O<2>}	116.5920	0.000	1	118.4202	0.666	173	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	117.5200	0.283	6	118.4202	0.666	173	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	118.4717	0.794	164	118.4202	0.666	173	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|O<2>,3|C<4>}	118.3558	0.513	4	118.3558	0.263	4	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]N)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|N<2>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]N)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	118.2794	0.532	8	118.2794	0.283	8	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	117.3600	0.000	1	117.3600	0.000	1	118.3066	0.766	237	118.3066	0.766	237	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:2:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-2:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]C)(O[6]C[6])(OC)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(OC){1|O<1>,1|O<2>,2|C<4>}	114.6510	0.000	1	114.6510	0.000	1	114.6510	0.000	1	114.6510	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:3:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:C-3:	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H)	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|O<1>}	C[6](O[6]C[6])2(CH3)2{3|C<3>}	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H){1|C<3>,1|O<2>,2|C<4>}	115.8510	0.393	4	115.8510	0.154	4	115.8510	0.154	4	115.8510	0.154	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:4:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<2>,1|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	116.4220	0.000	1	116.1395	0.160	2	115.8773	0.239	7	115.8773	0.239	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:4:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	115.8570	0.000	1	116.1395	0.160	2	115.8773	0.239	7	115.8773	0.239	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:4:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	115.9447	0.264	3	115.9447	0.070	3	115.8773	0.239	7	115.8773	0.239	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:4:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH)	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH){1|O<1>,1|O<2>,2|C<4>}	116.1140	0.000	1	116.1140	0.000	1	115.8773	0.239	7	115.8773	0.239	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	3:2:4:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	114.9140	0.000	1	114.9140	0.000	1	115.8773	0.239	7	115.8773	0.239	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<4>,2|H<1>}	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|N<3>,2|C<4>,2|O<2>}	116.6610	1.088	2	117.8493	4.828	3	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<4>,2|H<1>}	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|N<3>,1|O<2>,3|C<4>}	120.2260	0.000	1	117.8493	4.828	3	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	120.2835	0.134	2	120.3245	0.128	4	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	120.3655	0.599	2	120.3245	0.128	4	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]2H)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]2H)(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	122.7519	1.826	17	122.4724	3.681	19	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]2H)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]2H)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	120.0960	0.522	2	122.4724	3.681	19	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	123.2780	1.986	20	123.2780	3.946	20	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	120.8238	0.483	38	120.8238	0.233	38	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]CN)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	122.9620	0.396	2	122.7177	0.191	4	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]CN)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|N<3>,2|C<3>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	122.4735	0.421	2	122.7177	0.191	4	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	2:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	120.2195	0.091	2	120.2195	0.008	2	121.6666	3.497	90	121.6666	3.497	90	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	2:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	N[6]-2:O[6]-2:N-2:	O[6](C[6]C[6,6a]HH)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](N[6]C[6,6a])(O[6]C[6])(NC)	O[6](C[6]C[6,6a]HH)(C[6]N[6]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6](N[6]C[6,6a])(O[6]C[6])(NC){2|C<3>,2|H<1>}	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-2:O[6]-2:C-3:	O[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(H)2	C[6](N[6]N[6])(O[6]C[6])(COO)	O[6](C[6]C[6]HH)(C[6]N[6]C){1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	C[6](N[6]N[6])(O[6]C[6])(COO){2|C<3>,2|H<1>}	114.6250	0.096	2	114.6250	0.009	2	114.6250	0.009	2	114.6250	0.009	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|C<4>,2|C<3>}	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>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.0100	0.000	1	124.0100	0.000	1	124.0100	0.000	1	119.3811	9.461	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	118.3277	0.552	4	118.3277	0.304	4	118.3277	0.304	4	119.3811	9.461	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){3|C<3>,3|H<1>}	123.2900	0.000	1	123.2900	0.000	1	123.2900	0.000	1	119.3811	9.461	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6,6a]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(O[6]C[6])(H){2|C<3>,2|H<1>}	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	119.3811	9.461	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<3>,2|H<1>}	119.6830	0.000	1	119.6830	0.000	1	119.9813	2.247	3	119.3811	9.461	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<3>,2|H<1>}	120.1305	2.088	2	120.1305	4.360	2	119.9813	2.247	3	119.3811	9.461	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]HH)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]N)(O[6]C[6])(NS)	O[6](C[6]C[6,6a]HH)(C[6]C[6]N){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]N)(O[6]C[6])(NS){2|C<3>,2|H<1>}	118.4325	0.445	2	118.4325	0.198	2	118.4325	0.198	2	118.4325	0.198	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6,6a]HH)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS)	O[6](C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS){2|C<3>,2|H<1>}	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	112.9237	0.365	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	113.1175	0.711	2	113.1175	0.505	2	113.1175	0.505	2	112.9237	0.365	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|H<1>}	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	115.7723	1.860	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]HH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]HH)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){2|C<3>,2|H<1>}	115.5080	0.000	1	115.5080	0.000	1	115.0340	0.449	2	115.7723	1.860	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]HH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH)	O[6](C[6]C[6,6a]HH)(C[6]C[6]C){1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH){2|C<3>,2|H<1>}	114.5600	0.000	1	114.5600	0.000	1	115.0340	0.449	2	115.7723	1.860	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){4|C<3>,4|H<1>}	113.0130	0.000	1	113.0130	0.000	1	114.2773	1.665	4	114.2773	1.665	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){4|C<3>,4|H<1>}	115.2380	1.058	2	115.2380	1.119	2	114.2773	1.665	4	114.2773	1.665	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|I<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6]){4|C<3>,4|H<1>}	113.6200	0.000	1	113.6200	0.000	1	114.2773	1.665	4	114.2773	1.665	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|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>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	118.5340	0.000	1	118.5340	0.000	1	118.5340	0.000	1	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]CC)(O[6]C[6])(O)	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){2|C<3>,2|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(O[6]C[6])(O){2|C<3>,2|H<1>}	122.3870	0.000	1	122.3870	0.000	1	120.7026	5.072	10	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O)	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	119.1985	1.207	2	119.1985	1.457	2	120.7026	5.072	10	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O)	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O){2|C<3>,2|H<1>}	122.6463	1.580	4	122.6463	2.497	4	120.7026	5.072	10	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]FN)(O[6]C[6])(O)	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|F<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]FN)(O[6]C[6])(O){2|C<3>,2|H<1>}	118.3980	0.000	1	118.3980	0.000	1	120.7026	5.072	10	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[6]C[6,6a]HO)(O[6]C[6])(O)	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(O){2|C<3>,2|H<1>}	118.6295	0.564	2	118.6295	0.318	2	120.7026	5.072	10	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	116.6080	0.000	1	116.6080	0.000	1	117.3210	3.575	7	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){1|C<3>,3|H<1>}	119.3710	0.000	1	119.3710	0.000	1	117.3210	3.575	7	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,2|H<1>}	120.6590	0.000	1	120.6590	0.000	1	117.3210	3.575	7	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(O){1|C<3>,2|H<1>}	116.1523	0.212	4	116.1523	0.045	4	117.3210	3.575	7	119.2671	6.750	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:N-2:	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS)	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS){1|C<4>,3|C<3>,4|H<1>}	116.8330	0.376	2	116.8330	0.142	2	117.0320	0.190	3	117.0320	0.190	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:N-2:	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS)	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS){3|C<3>,5|H<1>}	117.4300	0.000	1	117.4300	0.000	1	117.0320	0.190	3	117.0320	0.190	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]HO)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.0450	0.000	1	118.0450	0.000	1	118.0450	0.000	1	120.2338	18.161	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]HO)(C[6]C[6,6a]O){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|H<1>,3|C<3>}	123.4655	3.245	2	123.4655	10.529	2	123.4655	10.529	2	120.2338	18.161	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,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)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	120.2338	18.161	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|O<2>,2|C<3>,2|H<1>}	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<2>,2|C<3>}	117.9260	0.000	1	117.9260	0.000	1	117.9260	0.000	1	117.6902	0.416	9	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]HO)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	O[6](C[6]C[6,6a]HO)(C[6]C[6]C){1|I<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	117.6608	0.683	8	117.6608	0.467	8	117.6608	0.467	8	117.6902	0.416	9	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HO)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|O<2>,2|H<1>}	123.0190	0.000	1	123.0190	0.000	1	123.0190	0.000	1	123.0190	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:3:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	117.5935	0.435	2	117.5935	0.189	2	117.5935	0.189	2	118.2070	1.224	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:3:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:S[6]-2:O[6]-2:C-3:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]S[6]C)(C[6]C[6,6a]O)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]S[6]C)(C[6]C[6,6a]O){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|S<2>,4|C<3>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	118.2070	1.224	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:2:4:	3:2:4:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|N<2>,2|C<3>}	114.5010	0.000	1	114.5010	0.000	1	114.5010	0.000	1	114.5010	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:3:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	118.3480	0.000	1	118.3480	0.000	1	118.3480	0.000	1	118.3480	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:3:1:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	119.4600	0.598	2	119.4600	0.358	2	118.2570	4.521	3	118.2570	4.521	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:3:1:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	115.8510	0.000	1	115.8510	0.000	1	118.2570	4.521	3	118.2570	4.521	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	2:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	N[6]-2:O[6]-2:H-1:	O[6](C[6]C[6,6a]CH)(C[6]N[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	C[6](N[6]N[6,6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]H){1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]N[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	119.3560	0.086	3	119.3560	0.007	3	119.3560	0.007	3	120.6166	1.502	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]CH)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6](N[6]C[6,6a]S)(O[6]C[6])(O)	O[6](C[6]C[6,6a]CH)(C[6]N[6]O){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]S)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	121.6990	0.000	2	121.6990	0.000	2	121.6990	0.000	2	120.6166	1.502	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C[6](C[6]O[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	121.9640	0.000	1	121.4250	0.581	2	121.4250	0.581	2	120.6166	1.502	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C[6](C[6]O[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	120.8860	0.000	1	121.4250	0.581	2	121.4250	0.581	2	120.6166	1.502	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	117.1560	0.000	1	117.1560	0.000	1	117.1560	0.000	1	117.1560	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CHHO)	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(O[6]C[6])(CHHO){1|C<4>,1|H<1>,2|C<3>}	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	115.7840	0.000	1	115.7840	0.000	1	115.2125	0.653	2	115.2125	0.653	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	114.6410	0.000	1	114.6410	0.000	1	115.2125	0.653	2	115.2125	0.653	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:Br-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]BrC)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]BrC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|Br<1>,1|C<3>,1|C<4>}	118.5280	0.000	1	118.5280	0.000	1	118.5280	0.000	1	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CO)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CO)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	121.6070	0.000	1	121.6070	0.000	1	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H)	C[6](C[6]C[6]N[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]N[6]C)(O[6]C[6])(O){1|C<3>,2|H<1>,3|C<4>}	124.5150	0.000	1	124.5150	0.000	1	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	123.5012	0.460	6	123.5012	0.212	6	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	120.3050	0.000	1	120.3050	0.000	1	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CO)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,1|O<4>}	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CO)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	122.6590	0.000	1	122.6590	0.000	1	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	120.1237	1.221	3	120.1237	1.491	3	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H)	C[6](C[6]C[5]O[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C[6](C[6]C[5]O[6]C)(O[6]C[6])(O){1|C<3>,2|H<1>,3|C<4>}	124.1185	1.421	2	124.1185	2.018	2	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,3|C<3>}	116.0950	0.000	1	116.0950	0.000	1	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]BrC)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]BrC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	117.7020	0.000	1	117.7020	0.000	1	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	119.7167	1.830	3	119.7167	3.350	3	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	120.6270	2.620	4	120.6270	6.863	4	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	118.3150	0.000	1	118.3150	0.000	1	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	121.0860	0.000	1	121.0860	0.000	1	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	117.5335	0.712	2	117.5335	0.507	2	121.0223	6.695	28	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:S-1:	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(S)	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	117.7740	0.153	2	117.7740	0.023	2	117.8247	0.121	4	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:S-1:	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(S)	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	117.8755	0.575	2	117.8755	0.330	2	117.8247	0.121	4	120.5591	6.912	33	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:N-2:	O[6](C[6]C[6]CH)(C[6]C[6]N)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(NO)	O[6](C[6]C[6]CH)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]N[6]CH)(O[6]C[6])(NO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.6280	0.000	1	117.6280	0.000	1	117.6280	0.000	1	119.8933	3.885	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-2:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(OB)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(OB){1|C<3>,1|C<4>,1|H<1>}	121.0260	0.270	2	121.0260	0.073	2	121.0260	0.073	2	119.8933	3.885	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:3:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH)	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.9200	0.893	3	119.9200	0.797	3	119.9200	0.797	3	119.9200	0.797	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:2:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:C-2:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]CC)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	O[6](C[6]C[6,6a]CC)(C[6]N[6]O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){1|C<2>,1|C<4>,2|C<3>}	120.4540	0.082	2	120.4540	0.007	2	120.4540	0.007	2	120.4540	0.007	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:C-4:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]CC)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	O[6](C[6]C[6,6a]CC)(C[6]N[6]O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){2|C<3>,2|C<4>}	125.4800	0.000	1	125.4800	0.000	1	125.4800	0.000	1	123.5815	7.209	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	123.5815	7.209	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:4:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	120.3630	0.000	1	120.3630	0.000	1	120.6925	0.217	2	120.6925	0.217	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:4:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	121.0220	0.000	1	121.0220	0.000	1	120.6925	0.217	2	120.6925	0.217	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	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>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,3|C<4>}	121.9470	0.000	1	121.9470	0.000	1	121.9470	0.000	1	122.2166	1.244	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]C[6]O){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<3>,2|C<4>}	121.7393	0.814	3	121.7393	0.662	3	122.2840	1.628	4	122.2166	1.244	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,2|C<4>}	123.9180	0.000	1	123.9180	0.000	1	122.2840	1.628	4	122.2166	1.244	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]N[6]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]N[6]H)(C[6]C[6,6a]O){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|N<3>,2|H<1>,3|C<3>}	123.6640	0.000	1	123.6640	0.000	1	123.6640	0.000	1	120.5782	11.787	6	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|H<1>,4|C<3>}	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	120.5782	11.787	6	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){2|C<3>,2|H<1>,2|S<2>}	123.4560	0.313	2	123.4560	0.098	2	123.4560	0.098	2	120.5782	11.787	6	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.5905	0.443	2	116.5905	0.197	2	116.5905	0.197	2	120.5782	11.787	6	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	119.6170	3.597	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-3:N[5]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]N[5]H)(C[6]C[6]C)	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)	O[6](C[6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	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]H)(O[6]C[6])(CCCH){1|C<3>,1|N<3>,3|H<1>}	118.2760	0.000	1	118.2760	0.000	1	118.2760	0.000	1	119.6170	3.597	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,5|C<3>}	113.7120	0.000	1	113.7120	0.000	1	113.7120	0.000	1	113.7120	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O){1|H<1>,7|C<3>}	119.2950	0.000	1	119.2950	0.000	1	119.1304	1.061	7	118.9172	1.273	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	119.3785	2.232	2	119.1030	1.267	6	119.1304	1.061	7	118.9172	1.273	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	118.9652	0.613	4	119.1030	1.267	6	119.1304	1.061	7	118.9172	1.273	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|H<1>,2|C<3>}	117.4250	0.000	1	117.4250	0.000	1	117.4250	0.000	1	118.9172	1.273	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:3:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]N[6]C)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]N[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>}	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:3:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]C[6]C)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]C[6]C)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,8|C<3>}	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:4:	2:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6](N[6]C[6,6a])(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,3|C<3>}	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:4:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){1|C<4>,3|C<3>}	116.7310	0.000	1	116.7310	0.000	1	120.2940	25.390	2	122.9153	18.396	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:4:	3:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6](N[6]C[6,6a]C)(O[6]C[6])(O)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(O[6]C[6])(O){1|C<4>,3|C<3>}	123.8570	0.000	1	123.8570	0.000	1	120.2940	25.390	2	122.9153	18.396	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:4:	3:2:1:	C[6]-4:C[6]-3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]N[5a,6]C[5a]C)(C[6]C[6,6a]O)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]N[5a,6]C[5a]C)(C[6]C[6,6a]O){5|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.5365	1.521	2	125.5365	2.313	2	125.5365	2.313	2	122.9153	18.396	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:4:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	117.3810	0.000	1	117.3810	0.000	1	117.3810	0.000	1	117.3810	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:4:	3:2:4:	C[6]-4:C[6]-3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]N[6]C)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	O[6](C[6]C[6]N[6]C)(C[6]C[6]C){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	114.3820	0.000	1	114.3820	0.000	1	114.3820	0.000	1	114.3820	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:4:	3:3:2:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6]){7|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:2:4:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|C<4>,3|C<3>}	119.8380	0.402	2	119.8380	0.161	2	119.8380	0.161	2	119.8380	0.161	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:3:2:	3:2:4:	C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){2|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	116.0950	0.000	1	116.0950	0.000	1	115.0900	2.020	2	115.0900	2.020	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:3:3:2:	3:2:4:	C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	114.0850	0.000	1	114.0850	0.000	1	115.0900	2.020	2	115.0900	2.020	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	2:2:4:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](N[6]C[6])(O[6]C[6])(CCl3)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6])(O[6]C[6])(CCl3){1|C<4>,2|C<3>,2|H<1>}	116.0170	0.000	1	116.0170	0.000	1	116.0170	0.000	1	116.0170	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	118.0330	0.468	2	118.0330	0.219	2	117.6158	0.546	4	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.5980	0.000	1	116.5980	0.000	1	117.6158	0.546	4	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	117.7990	0.000	1	117.7990	0.000	1	117.6158	0.546	4	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	115.2950	0.000	1	115.2950	0.000	1	115.2950	0.000	1	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]N[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]N[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.0670	0.423	2	118.0670	0.179	2	117.5040	0.488	8	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	117.4490	0.000	1	116.9427	0.634	3	117.5040	0.488	8	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	116.0250	0.000	1	116.9427	0.634	3	117.5040	0.488	8	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	117.3540	0.000	1	116.9427	0.634	3	117.5040	0.488	8	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.7920	0.471	2	117.7920	0.222	2	117.5040	0.488	8	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6]N[6]O)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[6]O)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	117.4860	0.000	1	117.4860	0.000	1	117.5040	0.488	8	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C[6](N[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	124.2270	0.000	1	124.2270	0.000	1	121.8846	7.709	10	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	121.4710	0.356	2	121.4710	0.127	2	121.8846	7.709	10	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H)	C[6](N[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	117.1100	0.000	1	117.1100	0.000	1	121.8846	7.709	10	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	120.1570	0.000	1	120.1570	0.000	1	121.8846	7.709	10	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](N[6]N[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]N[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	124.9530	0.374	3	124.9530	0.140	3	121.8846	7.709	10	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](N[6]N[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]N[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	119.7755	0.472	2	119.7755	0.222	2	121.8846	7.709	10	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:S-1:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](N[6]N[6]H)(O[6]C[6])(S)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]N[6]H)(O[6]C[6])(S){1|C<3>,1|H<1>,2|C<4>}	119.7855	0.650	2	119.7855	0.422	2	119.7855	0.422	2	119.1335	9.241	26	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	116.8700	0.000	1	116.8700	0.000	1	117.6980	1.077	3	117.6980	1.077	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	117.3620	0.000	1	117.3620	0.000	1	117.6980	1.077	3	117.6980	1.077	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	118.8620	0.000	1	118.8620	0.000	1	117.6980	1.077	3	117.6980	1.077	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(COS)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COS){1|C<4>,2|C<3>,2|H<1>}	114.5110	0.000	1	114.5110	0.000	1	114.5110	0.000	1	115.2837	1.195	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	115.5413	1.181	3	115.5413	1.395	3	115.5413	1.395	3	115.2837	1.195	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C){2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	111.7020	0.000	1	111.7020	0.000	1	114.7677	7.406	3	114.7677	7.406	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	116.3005	0.845	2	116.3005	0.714	2	114.7677	7.406	3	114.7677	7.406	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	115.1485	0.958	2	115.1485	0.918	2	115.1485	0.918	2	115.1485	0.918	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O)	O[6](C[6]C[6,6a]CH)(C[6]C[6]O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(O[6]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	125.1460	0.000	1	125.1460	0.000	1	125.1460	0.000	1	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	116.9420	0.000	1	116.9420	0.000	1	120.5993	13.619	3	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	120.5340	0.000	1	120.5340	0.000	1	120.5993	13.619	3	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|S<1>,2|C<4>}	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	124.3220	0.000	1	124.3220	0.000	1	120.5993	13.619	3	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:S-1:	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]N[6]CC)(O[6]C[6])(S)	O[6](C[6]C[6]CH)(C[6]C[6]S){1|N<3>,1|S<1>,2|C<4>}	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(S){1|C<3>,1|C<4>,2|H<1>}	125.4705	0.786	2	125.4705	0.617	2	125.4705	0.617	2	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	122.3930	0.918	2	122.3930	0.842	2	120.2722	9.252	8	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5700	0.000	1	122.5700	0.000	1	120.2722	9.252	8	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	122.4670	0.000	1	118.1262	9.014	4	120.2722	9.252	8	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	116.1615	0.556	2	118.1262	9.014	4	120.2722	9.252	8	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	117.7150	0.000	1	118.1262	9.014	4	120.2722	9.252	8	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	122.3170	0.000	1	122.3170	0.000	1	120.2722	9.252	8	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O)	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HN)(O[6]C[6])(O)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){1|N<3>,2|C<4>,2|H<1>}	123.7340	0.000	1	123.7340	0.000	1	122.8240	1.656	2	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.9140	0.000	1	121.9140	0.000	1	122.8240	1.656	2	121.6069	10.461	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:2:	3:2:4:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6]O)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.8550	0.000	1	115.8550	0.000	1	115.8550	0.000	1	115.8550	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:3:	3:2:4:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:4:	2:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]C)(C[6]O[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C[6](O[6]C[6])2(O)	O[6](C[6]C[6a]C[6]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](O[6]C[6])2(O){1|C<3>,2|C<4>,2|H<1>}	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:4:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6a]C[6]C)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	118.9955	4.351	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:4:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]C)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C[6](C[6]C[6]N)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(O){2|C<3>,2|C<4>}	120.5325	1.797	2	120.5325	3.228	2	120.5325	3.228	2	118.9955	4.351	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:4:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]C)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C[6](N[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]C)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	117.8910	0.000	1	117.8910	0.000	1	117.8910	0.000	1	118.9955	4.351	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:4:	3:2:3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(CNO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CNO){1|H<1>,2|C<3>,2|C<4>}	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:2:4:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:C-4:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,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)(O[6]C[6])(O){1|C<3>,4|C<4>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	3:4:3:2:	2:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[3]-4:C[6a]-3:O[6]-2:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC)	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C){1|Br<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<2>,4|C<3>,7|H<1>}	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC){1|C<4>,3|C<3>}	118.3710	0.000	1	118.3710	0.000	1	118.3710	0.000	1	118.3710	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	N[6]-2:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]N[6]O)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	C[6](N[6]C[5,6])(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<4>,2|C<4>}	C[6](N[6]C[5,6])(O[6]C[6])(O){2|C<4>,3|H<1>}	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[6](O[6]C[5,6])(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[5,6])(O[6]C[6])(O){2|C<4>,3|H<1>}	118.9670	3.157	3	118.9670	9.964	3	118.9670	9.964	3	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:S-1:	O[6](C[6]C[5,6]HH)(C[6]O[6]S)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[6](O[6]C[5,6])(O[6]C[6])(S)	O[6](C[6]C[5,6]HH)(C[6]O[6]S){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[6](O[6]C[5,6])(O[6]C[6])(S){2|C<4>,3|H<1>}	122.3130	0.000	1	122.3130	0.000	1	122.3130	0.000	1	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:H-1:	O[6](C[6]C[6,6]HH)(C[6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6](O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6,6]HH)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6])(O[6]C[6])(H){2|C<4>,3|H<1>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]O[6]O)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6](O[6]C[6,6])(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(O[6]C[6])(O){2|C<4>,3|H<1>}	124.3130	0.000	1	124.3130	0.000	1	124.3130	0.000	1	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](O[6]C[6])2(O){1|C<3>,2|C<4>,2|H<1>}	123.9610	0.000	1	122.4390	2.240	3	122.2764	1.616	11	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](O[6]C[6])2(O){1|C<4>,4|H<1>}	121.6780	1.003	2	122.4390	2.240	3	122.2764	1.616	11	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6])2(O){2|H<1>,3|C<4>}	123.2350	0.638	4	122.2154	1.653	8	122.2764	1.616	11	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](O[6]C[6])2(O){1|C<4>,4|H<1>}	121.1958	0.824	4	122.2154	1.653	8	122.2764	1.616	11	121.1293	8.292	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:4:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6,6]HH)(C[6]N[6]C)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C[6](N[6]C[6,6])(O[6]C[6])(CCCH)	O[6](C[6]C[6,6]HH)(C[6]N[6]C){3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6])(O[6]C[6])(CCCH){2|C<4>,3|H<1>}	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	115.8252	1.310	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6])(O[6]C[6])(CCCN)	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6])(O[6]C[6])(CCCN){1|C<4>,4|H<1>}	116.5300	0.000	1	116.5300	0.000	1	115.4117	0.938	3	115.8252	1.310	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6])(O[6]C[6])(CCl3)	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](N[6]C[6])(O[6]C[6])(CCl3){1|C<3>,2|C<4>,2|H<1>}	114.8525	0.018	2	114.8525	0.000	2	115.4117	0.938	3	115.8252	1.310	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[3,6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[3,6,6]HH)(C[6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[3,6,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:H-1:	O[6](C[6]C[3x6]HH)(C[6]C[6,6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H)	O[6](C[6]C[3x6]HH)(C[6]C[6,6]H){4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H){3|C<4>,5|H<1>}	113.1230	0.514	4	113.1230	0.264	4	113.1230	0.264	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[3x6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[3x6]HH)(C[6]N[6]O)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2	C[6](N[6]C[3x6]H)(O[6]C[6])(O)	O[6](C[6]C[3x6]HH)(C[6]N[6]O){2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[6]C[3x6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	120.9380	0.000	1	120.9380	0.000	1	120.9380	0.000	1	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[4x6]HH)(C[6]C[6]O)	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2	C[6](C[6]C[3x6]C)(O[6]C[6])(O)	O[6](C[6]C[4x6]HH)(C[6]C[6]O){2|C<3>,2|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[3x6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	117.3410	1.267	2	117.3410	1.606	2	117.3875	1.732	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[4x6]HH)(C[6]C[6]O)	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[4x6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	117.4340	1.892	2	117.4340	3.580	2	117.3875	1.732	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6a]O){2|C<3>,2|C<4>}	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.3745	1.305	2	118.3745	1.702	2	118.8245	0.899	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|C<4>,3|C<3>}	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.2745	0.431	2	119.2745	0.185	2	118.8245	0.899	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]N[6]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2	C[6](N[6]C[6,6]C[6a])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	121.2760	0.000	1	121.2760	0.000	1	121.2760	0.000	1	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6,6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6,6]O){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O){3|H<1>,4|C<4>}	118.4855	0.419	2	118.3437	0.148	3	118.3437	0.148	3	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6,6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6,6]O){4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O){4|C<4>,4|H<1>}	118.0600	0.000	1	118.3437	0.148	3	118.3437	0.148	3	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	C[6](C[6]C[5,6]O)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]O)(O[6]C[6])(O){2|C<4>,2|H<1>}	119.1000	0.000	1	119.1000	0.000	1	118.9020	0.078	2	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6]S)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	118.7040	0.000	1	118.7040	0.000	1	118.9020	0.078	2	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]N[6]O)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	C[6](N[6]C[5,6]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	C[6](N[6]C[5,6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	117.1870	0.494	2	117.1870	0.244	2	117.1870	0.244	2	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|C<4>,4|H<1>}	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	O[6](C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|C<4>,3|H<1>}	115.6220	0.000	1	115.6220	0.000	1	115.6220	0.000	1	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	116.7943	0.443	4	116.7943	0.196	4	117.7054	4.298	5	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6,6]C)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	121.3500	0.000	1	121.3500	0.000	1	117.7054	4.298	5	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]N[5,6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6,6]C[5,6])(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]N[5,6]O){1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6])(O[6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	123.7050	0.027	2	123.7050	0.001	2	123.7050	0.001	2	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	113.6905	0.093	2	113.6905	0.009	2	112.9339	4.116	10	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){4|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	112.6260	0.000	1	112.6260	0.000	1	112.9339	4.116	10	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	115.3017	0.200	3	115.3017	0.040	3	112.9339	4.116	10	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	111.2390	0.000	1	111.2390	0.000	1	112.9339	4.116	10	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]O[6])(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]O[6])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	111.4350	0.000	1	111.2010	0.110	2	112.9339	4.116	10	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]O[6])(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]O[6])(O[6]C[6])(H){1|C<3>,2|C<4>,3|H<1>}	110.9670	0.000	1	111.2010	0.110	2	112.9339	4.116	10	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){1|O<3>,3|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|W<6>,2|H<1>}	109.7860	0.000	1	109.7860	0.000	1	112.9339	4.116	10	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<4>,4|H<1>}	121.7710	0.000	1	119.5403	3.946	3	119.3225	2.821	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	118.8880	0.000	1	119.5403	3.946	3	119.3225	2.821	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	117.9620	0.000	1	119.5403	3.946	3	119.3225	2.821	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6]N)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(O){1|C<4>,3|H<1>}	118.6690	0.000	1	118.6690	0.000	1	119.3225	2.821	4	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	C[6](N[6]C[6]S)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	122.8833	1.282	10	123.0495	1.783	11	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	C[6](N[6]C[6]S)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){2|C<4>,3|H<1>}	124.7110	0.000	1	123.0495	1.783	11	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	117.9665	1.124	2	117.9665	1.262	2	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,2|C<3>,4|H<1>}	120.5175	0.330	2	120.5175	0.109	2	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	116.8320	0.000	1	116.8320	0.000	1	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6]FF)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,4|H<1>}	119.5610	0.000	1	119.5610	0.000	1	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]2)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]2)(O[6]C[6])(O){3|C<4>,5|H<1>}	119.6330	0.000	1	119.6330	0.000	1	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	119.1100	0.000	1	119.0590	0.112	4	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	118.6410	0.000	1	119.0590	0.112	4	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	119.2425	0.301	2	119.0590	0.112	4	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]S)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){2|C<4>,3|H<1>}	116.7255	0.742	2	116.7255	0.550	2	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](N[6]N[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]N[6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	124.2830	0.000	1	124.2830	0.000	1	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]N[6]O)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](N[6]N[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]N[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	117.6605	0.397	2	117.6605	0.157	2	120.5863	7.181	27	118.1935	12.876	73	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	114.8263	0.337	4	114.8263	0.114	4	114.8263	0.114	4	115.1444	1.766	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCO)	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCO){1|C<4>,4|H<1>}	113.8110	0.000	1	113.8110	0.000	1	115.5606	3.406	5	115.1444	1.766	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2)	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2){1|C<4>,4|H<1>}	115.9980	1.807	4	115.9980	3.266	4	115.5606	3.406	5	115.1444	1.766	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS)	O[6](C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS){1|C<4>,2|C<3>,4|H<1>}	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	115.1444	1.766	10	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[3,6]HH)(C[6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH)	O[6](C[6]C[3,6]HH)(C[6]C[6]C){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH){1|C<3>,2|C<4>,2|H<1>}	115.2500	0.000	1	115.2500	0.000	1	115.2500	0.000	1	117.1091	2.224	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH)	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH){1|C<3>,1|C<4>,2|H<1>}	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	117.1091	2.224	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,4|H<1>}	116.7280	0.000	1	116.7280	0.000	1	117.6355	1.753	6	117.1091	2.224	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH)	O[6](C[6]C[6]HH)(C[6]C[6]C){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	115.4640	0.000	1	115.4640	0.000	1	117.6355	1.753	6	117.1091	2.224	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>}	118.2183	0.466	3	118.4052	0.285	4	117.6355	1.753	6	117.1091	2.224	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<1>}	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	118.9660	0.000	1	118.4052	0.285	4	117.6355	1.753	6	117.1091	2.224	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:3:2:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6]HH)(C[6]C[6]2)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]2)(C[6]O[6]H)(O[6]C[6])	O[6](C[6]C[6]HH)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{2|C<3>}	C[6](C[6]C[6]2)(C[6]O[6]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:4:2:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C-4:O[6]-2:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6])	O[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]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6]){1|C<4>,4|H<1>}	115.9480	0.000	1	115.9480	0.000	1	114.6785	3.223	2	114.6785	3.223	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:4:2:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C-4:O[6]-2:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<4>,4|H<1>}	113.4090	0.000	1	113.4090	0.000	1	114.6785	3.223	2	114.6785	3.223	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[3,6]HH)(C[6]C[3,6]O)	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O)	O[6](C[6]C[3,6]HH)(C[6]C[3,6]O){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	118.9370	0.392	2	118.9370	0.153	2	118.9370	0.153	2	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O)	C[6](C[3x6]C[3,6]C[3x6]C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O){5|C<4>}	C[6](C[3x6]C[3,6]C[3x6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O){4|C<4>,4|H<1>}	124.4770	0.000	1	124.4770	0.000	1	122.7740	3.843	3	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O){5|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>,4|H<1>}	123.2140	0.000	1	123.2140	0.000	1	122.7740	3.843	3	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O)	C[6](C[3x6]C[6,6]2C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O){1|H<1>,4|C<4>}	C[6](C[3x6]C[6,6]2C[6])(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){3|C<4>,5|H<1>}	120.6310	0.000	1	120.6310	0.000	1	122.7740	3.843	3	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[3,6]O)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[3,6]O){1|H<1>,4|C<4>}	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	118.3560	0.000	1	118.3560	0.000	1	118.3560	0.000	1	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){4|H<1>,5|C<4>}	121.5607	0.467	3	121.5607	0.218	3	121.5227	0.281	9	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){4|H<1>,5|C<4>}	122.4570	0.000	1	121.5037	0.361	6	121.5227	0.281	9	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	120.7150	0.000	1	121.5037	0.361	6	121.5227	0.281	9	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	121.3825	0.418	2	121.5037	0.361	6	121.5227	0.281	9	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	121.3580	0.000	1	121.5037	0.361	6	121.5227	0.281	9	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	121.7270	0.000	1	121.5037	0.361	6	121.5227	0.281	9	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[5,6]O)	C[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(O[6]C[6])(H)2	C[6](C[5,6]C[5,5]C[5,6]O)(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[5,6]O){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	122.1130	0.000	1	122.1130	0.000	1	122.1130	0.000	1	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6]O){1|C<2>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>,4|H<1>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	120.4260	0.000	1	120.4260	0.000	1	119.7040	0.391	3	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	119.3430	0.016	2	119.3430	0.000	2	119.7040	0.391	3	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(O[6]C[6])(O){1|F<1>,3|H<1>,4|C<4>}	119.9290	0.000	1	119.9290	0.000	1	120.0410	0.025	2	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(O[6]C[6])(O){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	120.1530	0.000	1	120.1530	0.000	1	120.0410	0.025	2	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[5,6]O){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,3|C<4>,4|H<1>}	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	C[6](C[6]C[5,6]HO)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	125.2320	0.000	1	125.2320	0.000	1	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	116.0790	0.000	1	118.5567	20.616	3	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	115.7940	0.000	1	118.5567	20.616	3	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	123.7970	0.000	1	118.5567	20.616	3	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	117.4030	0.442	5	117.4030	0.195	5	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	117.4300	0.000	1	116.9150	0.530	2	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	116.4000	0.000	1	116.9150	0.530	2	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|N<2>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	119.4150	0.000	1	119.4150	0.000	1	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	118.6830	0.000	1	118.6830	0.000	1	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	117.0855	0.254	2	117.0855	0.064	2	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	120.1740	0.021	2	120.1740	0.000	2	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	119.0990	0.014	2	119.0990	0.000	2	118.5559	6.117	19	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[3x6]O)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[3x6]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	119.9277	2.895	3	119.9080	5.589	4	119.9080	5.589	4	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[3x6]O)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[3x6]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	119.8490	0.000	1	119.9080	5.589	4	119.9080	5.589	4	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O){1|N<3>,2|C<4>,5|H<1>}	120.7315	0.554	2	121.5543	2.184	3	121.5490	1.456	4	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O){1|N<3>,2|C<4>,5|H<1>}	123.2000	0.000	1	121.5543	2.184	3	121.5490	1.456	4	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	121.5330	0.000	1	121.5330	0.000	1	121.5490	1.456	4	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[6])(H)2	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	123.5090	0.000	1	123.5090	0.000	1	121.5555	5.112	13	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	119.9845	1.568	2	119.9845	2.458	2	121.5555	5.112	13	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	121.4853	0.339	3	121.4853	0.115	3	121.5555	5.112	13	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6,6]CC)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<2>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(O[6]C[6])(O){2|C<4>,3|H<1>}	123.9330	0.000	1	123.1068	1.196	4	121.5555	5.112	13	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6,6]CC)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<2>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(O[6]C[6])(O){2|C<4>,3|H<1>}	122.8313	1.157	3	123.1068	1.196	4	121.5555	5.112	13	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6,6]CH)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	121.4730	0.000	1	121.4730	0.000	1	121.5555	5.112	13	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	122.7650	0.000	1	122.7650	0.000	1	121.5555	5.112	13	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,4|H<1>}	115.6220	0.000	1	115.6220	0.000	1	121.5555	5.112	13	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	111.2660	0.267	2	111.2660	0.071	2	110.7950	0.638	5	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	110.1480	1.038	2	110.1480	1.078	2	110.7950	0.638	5	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:	O[6](C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	C[6](C[6]S[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H){1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,1|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H){1|Cu<5>,1|C<4>,2|H<1>}	111.1470	0.000	1	111.1470	0.000	1	110.7950	0.638	5	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:N-1:	O[6](C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(N)	O[6](C[6]C[6]HH)(C[6]C[6]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(N){2|H<1>,3|C<4>}	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	116.4080	0.000	1	116.4080	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[6]C[5,6]C[6a]C)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]C)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	123.7082	2.035	4	123.7082	4.142	4	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	123.6730	2.035	2	123.6730	4.141	2	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6]CO)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(O[6]C[6])(O){1|C<4>,4|H<1>}	124.3430	0.000	1	124.3430	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]C[6]BrC)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]BrC)(O[6]C[6])(O){1|C<4>,4|H<1>}	123.3400	0.000	1	123.3400	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	122.5860	0.000	1	122.5860	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|S<4>,3|H<1>}	119.7010	4.912	2	119.7010	24.123	2	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){1|C<4>,4|H<1>}	122.6710	0.000	1	122.6710	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(O){2|C<4>,3|H<1>}	121.7580	0.000	1	121.7580	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){1|C<4>,4|H<1>}	122.0100	0.000	1	122.0100	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,4|H<1>}	120.8933	1.184	3	120.8933	1.401	3	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,4|H<1>}	117.1670	0.000	1	119.3265	4.912	10	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	119.1425	1.407	6	119.3265	4.912	10	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	120.4143	3.598	3	119.3265	4.912	10	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	120.4330	0.000	1	120.4330	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]2)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6a]C[6]2)(O[6]C[6])(O){2|C<4>,4|C<3>,4|H<1>}	123.6015	0.616	2	123.6015	0.379	2	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|C<4>,2|C<3>,4|H<1>}	121.8260	0.000	1	121.8260	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	114.8460	0.000	1	118.8350	12.004	3	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	120.8295	0.374	2	118.8350	12.004	3	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,4|H<1>}	122.5720	0.000	1	122.5720	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8535	0.633	2	121.9070	0.209	3	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0140	0.000	1	121.9070	0.209	3	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6]N[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<4>,3|H<1>}	121.3940	0.000	1	121.3940	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	120.4520	0.000	1	117.7325	14.791	2	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){2|C<4>,2|H<1>}	115.0130	0.000	1	117.7325	14.791	2	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	119.2340	0.000	1	119.6650	0.372	2	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){2|C<4>,2|H<1>}	120.0960	0.000	1	119.6650	0.372	2	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	115.4420	0.000	1	115.4420	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){2|C<4>,2|H<1>}	115.5475	0.216	2	115.5475	0.047	2	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	114.8130	0.000	1	114.8130	0.000	1	120.4675	8.958	48	120.0136	10.460	117	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:2:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:N-2:	O[6](C[6]C[5,6]HH)(C[6]C[5,6]N)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH)	O[6](C[6]C[5,6]HH)(C[6]C[5,6]N){1|C<2>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH){1|C<3>,2|C<4>,5|H<1>}	120.7740	0.175	2	120.7740	0.031	2	120.7740	0.031	2	121.0410	0.229	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-2:	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OB)	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OB){1|C<4>,4|H<1>}	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	121.0410	0.229	3	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2	C[6](C[6]C[6]MoH)(O[6]C[6])(CCH)	O[6](C[6]C[6]HH)(C[6]C[6]C){1|Mo<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]MoH)(O[6]C[6])(CCH){1|C<4>,3|H<1>}	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:3:2:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:O[6]-2:	O[6](C[6]C[6]HH)(C[6]C[6]2)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]2H)(C[6]O[6]H)(O[6]C[6])	O[6](C[6]C[6]HH)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]2H)(C[6]O[6]H)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H)	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6])2(O){1|C<2>,1|H<1>,3|C<4>}	117.3620	0.000	1	117.3620	0.000	1	117.3620	0.000	1	117.3620	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>}	119.2660	0.000	1	119.2660	0.000	1	119.1075	0.050	2	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>}	118.9490	0.000	1	118.9490	0.000	1	119.1075	0.050	2	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:O[6]-2:H-1:	O[6](C[6]C[3x6]HO)(C[6]C[6,6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H)	O[6](C[6]C[3x6]HO)(C[6]C[6,6]H){2|C<3>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-3:O[6]-2:H-1:	O[6](C[6]C[5,6]HO)(C[6]C[5,6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	C[6](C[5,6]C[5,5,6]C[5])(O[6]C[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.1660	0.000	1	115.1660	0.000	1	115.1180	0.024	3	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[5,6]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.0940	0.209	2	115.0940	0.044	2	115.1180	0.024	3	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.6820	1.933	2	116.6820	3.737	2	116.6820	3.737	2	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6,6]HO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	122.5470	2.841	2	122.5470	8.072	2	122.5470	8.072	2	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]2)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]2)(O[6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	114.6010	0.000	1	114.6010	0.000	1	115.1760	0.204	5	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.3740	0.000	1	115.3740	0.000	1	115.1760	0.204	5	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.3017	0.446	3	115.3017	0.199	3	115.1760	0.204	5	116.8679	7.589	16	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	111.7060	0.786	2	111.7060	0.618	2	111.7060	0.618	2	114.3431	5.110	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]HO)(C[6]C[6]C){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.4810	0.000	1	113.4810	0.000	1	115.3980	2.643	5	114.3431	5.110	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CHO)	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CHO){1|O<2>,2|C<4>,2|H<1>}	113.8110	0.000	1	113.8110	0.000	1	115.3980	2.643	5	114.3431	5.110	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,1|O<2>,3|H<1>}	116.5660	0.377	3	116.5660	0.142	3	115.3980	2.643	5	114.3431	5.110	7	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	121.8670	0.000	1	121.8670	0.000	1	121.8670	0.000	1	118.3310	9.058	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.4870	0.000	1	119.4870	0.000	1	118.7227	0.538	3	118.3310	9.058	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	118.6570	0.000	1	118.6570	0.000	1	118.7227	0.538	3	118.3310	9.058	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.0240	0.000	1	118.0240	0.000	1	118.7227	0.538	3	118.3310	9.058	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:H-1:	O[6](C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	118.3310	9.058	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	2:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:C-3:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[5,6,6]CH)(C[6]O[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H)	C[6](O[6]C[5,6,6])(O[6]C[6])(O)	O[6](C[6]C[5,6,6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](O[6]C[5,6,6])(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	117.3410	0.000	1	117.3410	0.000	1	117.3410	0.000	1	117.3410	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	2:2:4:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-3:H-1:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6,6]CH)(C[6]N[6]C)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H)	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	O[6](C[6]C[6,6]CH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](N[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|H<1>}	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-3:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O)	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O){1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	117.5312	4.903	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6,6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6,6]O)(O[6]C[6])(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	117.5312	4.903	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	117.5312	4.903	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	118.2540	0.102	2	118.2540	0.010	2	117.9608	0.711	5	117.5312	4.903	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.4550	0.000	1	118.4550	0.000	1	117.9608	0.711	5	117.5312	4.903	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,1|H<1>,4|C<3>}	116.4630	0.000	1	116.4630	0.000	1	117.9608	0.711	5	117.5312	4.903	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	118.3780	0.000	1	118.3780	0.000	1	117.9608	0.711	5	117.5312	4.903	8	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H)	C[6](C[6]C[3,6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H){1|O<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	123.2280	0.000	1	123.2280	0.000	1	122.2903	0.631	4	122.2903	0.631	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.3240	0.000	2	122.3240	0.000	2	122.2903	0.631	4	122.2903	0.631	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,1|S<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	121.2850	0.000	1	121.2850	0.000	1	122.2903	0.631	4	122.2903	0.631	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:2:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]CO)(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]CO)(C[6]C[6]C){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:3:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-3:C-3:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]C[6]O){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<4>,3|C<3>}	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:3:3:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-3:C-3:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(COO)2	C[6](C[6]C[6,6]CH)(O[6]C[6])(O)	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(COO)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H)	C[6](N[6]S[6])(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|S<3>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](N[6]S[6])(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	120.3640	0.000	1	120.3640	0.000	1	120.3640	0.000	1	121.9616	1.991	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](O[6]C[6])2(O){2|H<1>,3|C<4>}	122.7700	0.000	1	122.7700	0.000	1	122.3610	1.591	4	121.9616	1.991	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H)	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](O[6]C[6])2(O){2|H<1>,3|C<4>}	121.8880	0.000	1	121.8880	0.000	1	122.3610	1.591	4	121.9616	1.991	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]CH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](O[6]C[6])2(O){2|H<1>,3|C<4>}	122.3930	2.093	2	122.3930	4.381	2	122.3610	1.591	4	121.9616	1.991	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	2:2:2:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-2:O[6]-2:O-2:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C[6](N[6]C[6])(O[6]C[6])(OC)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[6]C[6])(O[6]C[6])(OC){2|H<1>,3|C<4>}	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	2:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6]CH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H)	C[6](N[6]C[6])(O[6]C[6])(CCHN)	O[6](C[6]C[6]CH)(C[6]N[6]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](N[6]C[6])(O[6]C[6])(CCHN){1|C<3>,2|C<4>,2|H<1>}	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[3,6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[3,6]CH)(C[6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[3,6]H)(O[6]C[6])(H)	O[6](C[6]C[3,6]CH)(C[6]C[6]H){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[3,6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	115.8880	0.000	1	115.8880	0.000	1	115.8880	0.000	1	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[5,6]CH)(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O)	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O)	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O){2|C<3>,2|C<4>}	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6,6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|H<1>,3|C<4>}	116.3524	0.858	5	116.3524	0.736	5	116.3524	0.736	5	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){2|H<1>,3|C<4>}	114.2550	0.000	1	114.2550	0.000	1	114.7649	1.172	11	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	114.0970	0.000	1	114.0970	0.000	1	114.7649	1.172	11	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|N<3>,2|C<4>,2|H<1>}	116.5200	0.000	1	115.9620	0.463	3	114.7649	1.172	11	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.6830	0.677	2	115.9620	0.463	3	114.7649	1.172	11	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	114.4925	0.852	2	114.0325	1.168	4	114.7649	1.172	11	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|S<2>,2|C<4>,2|H<1>}	113.5725	1.389	2	114.0325	1.168	4	114.7649	1.172	11	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]I)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]I)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	114.9500	0.000	1	114.9500	0.000	1	114.7649	1.172	11	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.0960	0.000	1	115.0960	0.000	1	114.7649	1.172	11	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	117.7070	0.006	2	117.7070	0.000	2	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	113.6160	0.000	1	113.6160	0.000	1	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,2|F<1>}	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	119.4800	0.000	1	119.4800	0.000	1	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	118.8050	0.079	2	118.8050	0.006	2	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|H<1>,3|C<4>}	124.1270	0.000	1	124.1270	0.000	1	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	124.5765	0.252	2	124.5765	0.064	2	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	117.8860	0.000	1	117.8860	0.000	1	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,3|C<4>}	119.0240	0.000	1	118.3374	0.571	5	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	118.1658	0.752	4	118.3374	0.571	5	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<4>}	118.2410	0.000	1	117.9665	0.151	2	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	117.6920	0.000	1	117.9665	0.151	2	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<4>}	117.5340	0.000	1	117.5340	0.000	1	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	119.3180	0.000	1	119.3180	0.000	1	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6a]N[6])(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<3>,1|O<1>}	C[6](C[6]C[6a]N[6])(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	116.4467	0.534	3	116.4467	0.285	3	118.6863	7.115	22	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	124.2020	0.000	1	124.2020	0.000	1	119.8268	4.568	9	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	120.4030	0.000	1	120.4030	0.000	1	119.8268	4.568	9	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](N[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	120.7060	0.000	1	120.7060	0.000	1	119.8268	4.568	9	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	117.5910	0.000	1	117.5910	0.000	1	119.8268	4.568	9	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.9910	0.000	1	117.9910	0.000	1	119.8268	4.568	9	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	117.7660	0.000	1	117.7660	0.000	1	119.8268	4.568	9	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	120.6965	0.319	2	120.6965	0.102	2	119.8268	4.568	9	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	118.3890	0.000	1	118.3890	0.000	1	119.8268	4.568	9	117.8930	8.462	50	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CNO)	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CNO){1|O<2>,2|C<4>,2|H<1>}	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|O<1>,2|C<4>}	115.8675	0.354	2	115.8675	0.126	2	115.0782	1.114	4	115.2284	0.948	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)	O[6](C[6]C[6]CH)(C[6]C[6]C){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	114.8910	0.000	1	114.8910	0.000	1	115.0782	1.114	4	115.2284	0.948	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CF3){2|C<4>,3|H<1>}	113.6870	0.000	1	113.6870	0.000	1	115.0782	1.114	4	115.2284	0.948	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:P-4:	O[6](C[6]C[6]CH)(C[6]C[6]P)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(PO3)	O[6](C[6]C[6]CH)(C[6]C[6]P){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|P<4>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(PO3){1|C<3>,2|C<4>,2|H<1>}	115.8290	0.000	1	115.8290	0.000	1	115.8290	0.000	1	115.2284	0.948	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6,6]CH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[5,6,6]CH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|H<1>,2|C<4>}	120.0250	0.000	1	120.0250	0.000	1	120.0250	0.000	1	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	O[6](C[6]C[5,6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	119.3905	0.333	2	119.3905	0.111	2	119.3289	1.025	7	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	119.3940	0.000	1	119.3940	0.000	1	119.3289	1.025	7	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	117.7490	0.000	1	117.7490	0.000	1	119.3289	1.025	7	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	119.5140	0.000	1	119.5140	0.000	1	119.3289	1.025	7	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	118.7550	0.000	1	119.9320	2.771	2	119.3289	1.025	7	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	121.1090	0.000	1	119.9320	2.771	2	119.3289	1.025	7	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H)	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	120.2300	0.000	1	120.2300	0.000	1	122.6110	11.338	2	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	124.9920	0.000	1	124.9920	0.000	1	122.6110	11.338	2	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	125.8910	0.000	1	125.8910	0.000	1	125.3495	0.586	2	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	124.8080	0.000	1	124.8080	0.000	1	125.3495	0.586	2	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	121.9000	0.000	1	121.9000	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	121.1500	0.000	1	121.1500	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	121.2410	0.000	1	121.2410	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	123.3260	0.560	4	123.3260	0.314	4	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	122.3017	2.073	4	122.3017	4.298	4	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	121.1767	2.246	3	121.1568	10.090	5	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	121.1270	5.501	2	121.1568	10.090	5	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]ClC)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]ClC)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	122.5200	0.000	1	122.5200	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	123.6325	0.919	2	123.6325	0.844	2	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	116.0450	0.000	1	116.0450	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|N<3>,2|C<4>,2|H<1>}	118.1280	0.000	1	118.1280	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.7430	0.525	2	117.7430	0.275	2	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	122.9750	0.000	1	122.9750	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	123.5657	0.624	6	123.5661	0.324	7	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|H<1>,4|C<4>}	123.5690	0.000	1	123.5661	0.324	7	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	120.6133	2.855	3	120.6133	8.150	3	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	118.4080	0.000	1	118.4080	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){2|C<4>,3|H<1>}	122.4740	0.000	1	122.4740	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	123.6400	0.000	1	123.6400	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(O){2|C<4>,3|H<1>}	116.3700	0.000	1	116.3700	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|N<3>,2|C<4>,2|H<1>}	122.7150	0.000	1	122.7150	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	115.3870	0.000	1	115.3870	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	124.0880	0.000	1	124.0880	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	124.4130	0.000	1	124.4130	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	122.2530	0.000	1	122.2530	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,3|O<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(O){1|H<1>,2|C<4>,2|O<1>}	117.3370	0.000	1	117.3370	0.000	1	121.5657	7.383	44	121.4311	7.322	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:1:	4:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCH){1|O<2>,2|C<4>,2|H<1>}	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:2:	3:2:4:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-3:O[6]-2:C-4:	O[6](C[6]C[5,6]CO)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CF3)	O[6](C[6]C[5,6]CO)(C[6]C[5,6]C){4|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CF3){2|O<2>,3|C<4>,3|H<1>}	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:2:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CO)(C[6]C[6]O)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CO)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.5845	0.152	2	120.8564	1.009	11	120.8916	0.851	13	120.8916	0.851	13	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:2:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CO)(C[6]C[6]O)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CO)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	120.9168	1.112	9	120.8564	1.009	11	120.8916	0.851	13	120.8916	0.851	13	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:2:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CO)(C[6]C[6]O)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]CO)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>}	121.0855	0.186	2	121.0855	0.035	2	120.8916	0.851	13	120.8916	0.851	13	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:2:	4:2:3:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]CO)(C[6]C[6]C)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H)	O[6](C[6]C[6]CO)(C[6]C[6]C){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H){1|O<2>,2|C<4>}	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:C-4:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH)	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]CC)(C[6]O[6]O){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH){1|C<2>,1|H<1>,1|O<1>,1|O<2>}	C[6](O[6]C[6])2(O){1|C<2>,1|H<1>,3|C<4>}	125.6050	0.000	1	125.6050	0.000	1	122.1472	5.975	5	122.1472	5.975	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:C-4:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](O[6]C[6])2(O)	O[6](C[6]C[6]CC)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	C[6](O[6]C[6])2(O){2|H<1>,3|C<4>}	121.2828	1.728	4	121.2828	2.985	4	122.1472	5.975	5	122.1472	5.975	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[3,6,6]-4:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[3,6,6]CC)(C[6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[3,6,6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){4|C<4>}	119.3580	0.733	4	119.3580	0.537	4	119.3580	0.537	4	120.1057	1.640	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]CC)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	O[6](C[6]C[6,6]CC)(C[6]C[6,6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	120.1057	1.640	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,3|C<4>}	119.6635	1.036	4	119.6635	1.074	4	119.6635	1.074	4	120.1057	1.640	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){4|C<4>}	120.1990	0.000	1	120.1990	0.000	1	120.1990	0.000	1	120.1057	1.640	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:C-4:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	120.7120	0.000	1	120.7120	0.000	1	120.5859	2.500	8	120.1057	1.640	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:C-4:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](N[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|H<1>,4|C<4>}	120.3677	0.341	3	120.3677	0.116	3	120.5859	2.500	8	120.1057	1.640	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:C-4:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	120.7180	2.383	4	120.7180	5.680	4	120.5859	2.500	8	120.1057	1.640	18	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:3:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[5,6]CC)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[5,6]H)(O[6]C[6])(COO)	O[6](C[6]C[5,6]CC)(C[6]C[6]C){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(O[6]C[6])(COO){1|C<3>,1|H<1>,3|C<4>}	115.8865	0.001	2	115.8865	0.000	2	115.8865	0.000	2	115.8865	0.000	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]CC)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]CC)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	121.4190	0.000	1	121.4190	0.000	1	121.4190	0.000	1	121.6893	0.661	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	122.8580	0.000	1	122.8580	0.000	1	122.8580	0.000	1	121.6893	0.661	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	121.5050	0.000	1	121.5050	0.000	1	121.2400	0.140	2	121.6893	0.661	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:2:4:4:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	120.9750	0.000	1	120.9750	0.000	1	121.2400	0.140	2	121.6893	0.661	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]O){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	117.2296	0.458	7	117.3915	0.801	12	117.3915	0.801	12	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	117.6182	1.334	5	117.3915	0.801	12	117.3915	0.801	12	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	118.3590	0.000	1	118.3590	0.000	1	120.6540	14.644	5	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	121.2278	4.163	4	121.2278	17.331	4	120.6540	14.644	5	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|Br<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	118.6420	0.000	1	118.6420	0.000	1	119.3463	1.165	12	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.3780	1.111	5	119.3780	1.235	5	119.3463	1.165	12	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.9003	1.599	3	118.9003	2.557	3	119.3463	1.165	12	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.3080	0.000	1	120.3080	0.000	1	119.3463	1.165	12	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.4110	0.000	1	119.4110	0.000	1	119.3463	1.165	12	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.2040	0.000	1	120.2040	0.000	1	119.3463	1.165	12	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](N[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	123.6300	0.000	1	123.6300	0.000	1	123.6300	0.000	1	119.0138	4.888	32	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	116.8340	1.700	2	116.8340	2.890	2	116.8340	2.890	2	116.8340	2.890	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6,6]-4:N[5]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6,6]N[5]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(COO)	O[6](C[6]C[6,6]N[5]H)(C[6]C[6]C){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]C)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]C){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|C<3>,3|C<4>,4|H<1>}	114.2370	0.000	1	114.2370	0.000	1	114.2370	0.000	1	114.2370	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){5|H<1>,6|C<3>}	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	116.9390	0.000	1	116.9390	0.000	1	116.9390	0.000	1	116.5335	0.329	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6])	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]){1|I<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.1280	0.000	1	116.1280	0.000	1	116.1280	0.000	1	116.5335	0.329	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.2350	0.000	1	124.2350	0.000	1	124.2350	0.000	1	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]O){3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	117.5840	0.049	2	117.5840	0.002	2	117.5840	0.002	2	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	120.2837	0.698	8	120.3622	0.444	13	120.3622	0.444	13	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	119.6190	0.000	1	120.3622	0.444	13	120.3622	0.444	13	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	120.7048	0.531	4	120.3622	0.444	13	120.3622	0.444	13	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[3x6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3060	0.470	2	121.3060	0.220	2	120.8568	3.848	20	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	121.7880	0.778	4	120.8068	4.261	18	120.8568	3.848	20	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.3260	0.547	2	120.8068	4.261	18	120.8568	3.848	20	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	123.0160	0.000	1	120.8068	4.261	18	120.8568	3.848	20	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	123.0420	0.516	2	120.8068	4.261	18	120.8568	3.848	20	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.7840	0.000	1	120.8068	4.261	18	120.8568	3.848	20	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	119.2294	2.068	8	120.8068	4.261	18	120.8568	3.848	20	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[5,6]O)	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	119.0230	2.356	2	119.6321	6.884	11	119.9556	7.514	12	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,3|H<1>,4|C<4>}	118.8626	2.469	7	119.6321	6.884	11	119.9556	7.514	12	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	122.9345	0.069	2	119.6321	6.884	11	119.9556	7.514	12	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(O){1|C<3>,3|H<1>,4|C<4>}	123.5140	0.000	1	123.5140	0.000	1	119.9556	7.514	12	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.8240	0.000	1	123.8240	0.000	1	123.9920	0.056	2	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	124.1600	0.000	1	124.1600	0.000	1	123.9920	0.056	2	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	122.2890	1.822	2	122.2890	3.318	2	120.1723	7.082	4	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.0000	0.000	1	118.0000	0.000	1	120.1723	7.082	4	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	118.1110	0.000	1	118.1110	0.000	1	120.1723	7.082	4	120.6017	4.622	56	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:4:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[5a,6]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]C)(C[6]C[5a,6]O)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]C)(C[6]C[5a,6]O){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){2|C<4>,4|C<3>}	119.9070	0.000	1	119.9070	0.000	1	119.9070	0.000	1	119.3810	0.553	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:4:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	118.8550	0.000	1	118.8550	0.000	1	118.8550	0.000	1	119.3810	0.553	2	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:4:	4:2:1:	C[6]-4:C[6]-3:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5]C[6]C)(C[6]C[5,6]O)	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]C[5]C[6]C)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	115.2990	0.314	2	115.2990	0.099	2	115.2990	0.099	2	120.1238	31.101	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:2:4:	4:2:1:	C[6]-4:C[6]-3:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5]C[6]C)(C[6]C[6]O)	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[5]C[6]C)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,2|C<4>}	124.9485	0.303	2	124.9485	0.092	2	124.9485	0.092	2	120.1238	31.101	4	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:3:3:2:	3:2:1:	C[6]-4:C[6]-3:	C[3,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[3,6,6]C[6a]2)(C[6]C[6]H)	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[6]C[3,6]H)(O[6]C[6])(H)	O[6](C[6]C[3,6,6]C[6a]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,6|C<3>,6|H<1>}	C[6](C[6]C[3,6]H)(O[6]C[6])(H){2|C<4>,3|C<3>}	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	2:2:4:	C[6]-4:C[6]-3:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	N[6]-2:O[6]-2:C-4:	O[6](C[6]C[6,6]C[5]H)(C[6]N[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H)	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	O[6](C[6]C[6,6]C[5]H)(C[6]N[6]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[6](N[6]C[6,6])(O[6]C[6])(CH3){2|H<1>,3|C<4>}	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	113.9440	0.000	1	113.9440	0.000	1	113.9670	0.001	2	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	113.9900	0.000	1	113.9900	0.000	1	113.9670	0.001	2	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<4>}	116.5050	0.000	1	116.5050	0.000	1	116.3260	0.064	2	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H)	C[6](C[6]C[6a]N[6])(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H){1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	116.1470	0.000	1	116.1470	0.000	1	116.3260	0.064	2	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]C[5]C[6]H)(C[6]C[6,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){2|H<1>,5|C<4>}	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<2>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	114.9115	0.152	2	114.9115	0.023	2	114.9115	0.023	2	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]2H)(C[6]C[6]O)	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]2H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,3|C<4>}	117.5910	0.106	2	117.5910	0.011	2	117.3330	0.205	3	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]2H)(C[6]C[6]O)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]2H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>}	116.8170	0.000	1	116.8170	0.000	1	117.3330	0.205	3	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]2H)(C[6]N[6]O){1|S<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	116.4258	4.431	11	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	3:4:2:	C[6]-4:C[6]-3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-3:C-4:O[6]-2:	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[6]CH)(C[6]C[6]C){1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6]){1|H<1>,1|S<4>,2|C<4>}	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]O)	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[5]C[6])(O[6]C[6])(O)	O[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]O){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(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[5]C[6])(O[6]C[6])(O){1|C<3>,5|C<4>,5|H<1>}	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	120.7832	6.518	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5]C[6]H)(C[6]C[6]O)	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[5]C[6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	117.2540	0.000	1	117.2540	0.000	1	120.4895	20.937	2	120.7832	6.518	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5]C[6]H)(C[6]C[6]O)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[5]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	123.7250	0.000	1	123.7250	0.000	1	120.4895	20.937	2	120.7832	6.518	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	121.2120	0.000	1	121.2120	0.000	1	121.8090	0.713	2	120.7832	6.518	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	122.4060	0.000	1	122.4060	0.000	1	121.8090	0.713	2	120.7832	6.518	5	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:2:4:	4:2:1:	C[6]-4:C[6]-3:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5]C[6]C)(C[6]C[6]O)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[5]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	125.5880	0.000	1	125.5880	0.000	1	125.5880	0.000	1	125.5880	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910
622	466	762	6:SP2_SP2_SP3	O[6]	C[6]	C[6]	4:3:	4:4:4:2:	3:2:1:	C[6]-4:C[6]-3:	C[3x6]-4:C[6]-4:C-4:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[3x6]C[6]C)(C[6]C[6,6a]O)	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[3x6]C[6]C)(C[6]C[6,6a]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<3>,3|C<4>}	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	119.1340	8.323	1434	118.8216	9.207	1910